63837 <common-name>Methyl 2-acetamido-5-nitrobenzoate</common-name> <description>Methyl 2-acetamido-5-nitrobenzoate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H10N2O5 and an average molecular weight of 238.20 g/mol.</description> <cas>5409-45-0</cas> <pubchem-id>224172</pubchem-id> <chemical-formula>C10H10N2O5</chemical-formula> <weight nil="true"/> <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">2026-04-03T01:50:47Z</created-at> <updated-at type="dateTime">2026-04-03T01:50:47Z</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>COC(=O)C1=C(NC(C)=O)C=CC(=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C10H10N2O5</moldb-formula> <moldb-inchi>InChI=1S/C10H10N2O5/c1-6(13)11-9-4-3-7(12(15)16)5-8(9)10(14)17-2/h3-5H,1-2H3,(H,11,13)</moldb-inchi> <moldb-inchikey>HAKPLTBAUCAFMV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">238.199</moldb-average-mass> <moldb-mono-mass type="decimal">238.058971</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>194767</chemspider-id> <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>CHEM059730</chemdb-id> <dsstox-id>DTXSID30279363</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015990</susdat-id> <iupac>methyl 2-acetamido-5-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0061866</sync-id> <structure-inchikey>HAKPLTBAUCAFMV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000004000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000100001000000040400000000000010000000240400000100000002000000080000008000000000000400000000040000000000000000000000080000000001000000080000000000020000000000000000000000000080000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000200000000000000428000000000800040000000000400000800001000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAKAAAAAMEBwBoAAAAAwIBBgAo AAAAAwQGAGAAAAABAwgAKAAAAAMCBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQGQGgAAAADAwEHICoAAAABAwQIICoAAAD/AwEIACgAAAADAgsAAQABAiAC AygCAgQgBAVoDAUGIAYHIAcIAAcJKAIFCmgMCgtoDAsMaAwMDWgMDA4gDg8g DhAoAg0EaAxCAQAAAAYEDQwLCgUXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:26Z</structure-indexed-at> </compound>