304683 <common-name>(7-nitroquinolin-8-yl) 4-nitrobenzoate</common-name> <description>(7-nitroquinolin-8-yl) 4-nitrobenzoate belongs to the nitroquinolines and derivatives, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the chemical formula C16H9N3O6 and an average molecular weight of 339.26 g/mol.</description> <cas>29007-14-5</cas> <pubchem-id>206993</pubchem-id> <chemical-formula>C16H9N3O6</chemical-formula> <weight>339.26</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">2026-08-28T22:12:35Z</created-at> <updated-at type="dateTime">2026-08-28T22:12:35Z</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>C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1</moldb-smiles> <moldb-formula>C16H9N3O6</moldb-formula> <moldb-inchi>InChI=1S/C16H9N3O6/c20-16(11-3-6-12(7-4-11)18(21)22)25-15-13(19(23)24)8-5-10-2-1-9-17-14(10)15/h1-9H</moldb-inchi> <moldb-inchikey>OKIYTJMQXQZXDM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">339.049135</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM300576</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>(7-nitroquinolin-8-yl) 4-nitrobenzoate</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>Organoheterocyclic compounds</superklass> <klass>Quinolines and derivatives</klass> <subklass>Nitroquinolines and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0255811</sync-id> <structure-inchikey>OKIYTJMQXQZXDM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000010080000000000000000000010000000040000200000208000000000000000c000000000000000000000000000000000000002000000000020000000000100001800000000400040000000010000000200000000000000000000000000000000000000000000000000100000000001800000000000000000000000001000000000000000000420000000000000000008000000084000000000000000080000000000000002000000000000000000000000000000000000000000004000000840000200000000000000420000000001002040000000000400001000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@(������@(������@(������@h�������@h������� *��������(������ *���ÿ����(�������(�������(������@(������@h�������@h�������@(������@h�������@h������� *��������(������ *���ÿ���@(������@h���������h���h���h���h���h���h���h��� � (�� �� �� � (��� ��h���h���h���h���h��� ��(��� ��h���h���h���h���h�B�����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:13:38Z</structure-indexed-at> </compound>