331109 <common-name>3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3h-isoindol-1-one</common-name> <description>3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3h-isoindol-1-one is a chemical compound with the formula C22H22N4O6. It has an average molecular weight of 438.40 g/mol.</description> <cas>103255-63-6</cas> <pubchem-id>13655929</pubchem-id> <chemical-formula>C22H22N4O6</chemical-formula> <weight>438.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T11:50:26Z</created-at> <updated-at type="dateTime">2026-08-30T11:50:26Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CC(=O)N4CCC(=NO)CC4</moldb-smiles> <moldb-formula>C22H22N4O6</moldb-formula> <moldb-inchi>InChI=1S/C22H22N4O6/c1-32-17-5-2-15(3-6-17)25-20(13-21(27)24-10-8-14(23-29)9-11-24)19-12-16(26(30)31)4-7-18(19)22(25)28/h2-7,12,20,29H,8-11,13H2,1H3</moldb-inchi> <moldb-inchikey>KLINPYWIFMSQAI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">438.1539344</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM327002</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3h-isoindol-1-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281649</sync-id> <structure-inchikey>KLINPYWIFMSQAI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000010000000000000000000000000004000000000008020000020200001008000000000000000000000000000000000000000000000020000000000000000000000000020000000800100001204000000448000040000010000010240000000110000000000020100000000000000040840101000000040000000000000020000000000000000001000000000000000000020000000000000000000000000080000400000000000000000008000000010000088000000000200000000000400000000001000000000000000200200000000000000420040010002000040000000000420008800001000000000004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ���#���€���`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������`������@(������@(�������(�������(������@h�������@h�������@(������@h������� *��������(������ *���ÿ����`�������(�������(�������(�������`�������`�������(�������(�������h��������`�������`����������� ��h���h���h���h���h��� � � � �h��� � (���h���h���h���h��� ��(��� �������(��� �����������(��� ��������h��� � h����B�������������� ������ ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:31Z</structure-indexed-at> </compound>