279795 <common-name>[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate</common-name> <description>[[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C10H7N5O6 and an average molecular weight of 293.19 g/mol.</description> <cas>63549-42-8</cas> <pubchem-id>112693</pubchem-id> <chemical-formula>C10H7N5O6</chemical-formula> <weight>293.19</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">2026-08-26T19:43:45Z</created-at> <updated-at type="dateTime">2026-08-26T19:43:45Z</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>CC1=NN(C(=O)C1=NO[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C10H7N5O6</moldb-formula> <moldb-inchi>InChI=1S/C10H7N5O6/c1-6-9(12-21-15(19)20)10(16)13(11-6)7-2-4-8(5-3-7)14(17)18/h2-5H,1H3</moldb-inchi> <moldb-inchikey>XRGPGOJFVLGCGD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">293.039633</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM275688</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-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]amino] nitrate</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>CED0231845</sync-id> <structure-inchikey>XRGPGOJFVLGCGD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100020000000000000000000000100000000005000000000000000008020000000000000002000000000000000000200000000000000000000000000000000000000000000000020000040000100001004000000410040000000000000000200200000010000000000000102000000000000000000001000000040000000000000000000000000000000001000000000000000000020000000000000000000000000080000000000000000000000000000000000000008000000000000000000110000000000000000000000002000000200000000000000420041000000000040000000000000000000401000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBgBgAAAAAQMGACgAAAAD BAcAKAAAAAMDBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBgAoAAAAAwQHACgA AAADAwgAKAAAAAMCByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwEGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB ByAqAAAAAQMECAAoAAAAAwIIICoAAAD/AwELAAEAAQIoAgIDIAMEIAQFKAIE BiAGBygCBwggCAkgCQooAgkLIAMMIAwNaAwNDmgMDg9oDA8QaAwQEWgMDxIg EhMoAhIUIAYBIBEMaAxCAgAAAAUBAgMEBgYNDg8QEQwXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:02Z</structure-indexed-at> </compound>