294964 <common-name>8-(4-nitrophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3078176</pubchem-id> <chemical-formula>C15H10N2O6</chemical-formula> <weight>314.25</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">2026-08-28T10:49:43Z</created-at> <updated-at type="dateTime">2026-08-28T10:49:43Z</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>C1C2=C(C(C3=C(N2)COC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O1</moldb-smiles> <moldb-formula>C15H10N2O6</moldb-formula> <moldb-inchi>InChI=1S/C15H10N2O6/c18-14-12-9(5-22-14)16-10-6-23-15(19)13(10)11(12)7-1-3-8(4-2-7)17(20)21/h1-4,11,16H,5-6H2</moldb-inchi> <moldb-inchikey>SKQQRHDUZFLRLI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">314.053886</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</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>CHEM290857</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>8-(4-nitrophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0246428</sync-id> <structure-inchikey>SKQQRHDUZFLRLI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000000000000000000000000000004000000000000020000000000000000000000000000000400000000000000000000000000000000000000080400000000020800004000000001000000000400040000000000000000200000000000000000000020000000000000000000000100000800008000000800000200000000000001000001000000000000000000021000001000000000000000000080000000000000000000000000000000000020000000000000200000000000000000000000000000000000000000200000200000010420000000000000040000000000000000000001000000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������(�������h��������`�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ����(�������(�������(�����������(���������(��� ������� (������h�� h� �h���h���h��� ��(��� �� ��(��� ����� � ��h�B��������������������� ��� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:06:27Z</structure-indexed-at> </compound>