281186 <common-name>Ethyl (z)-3-[(2e)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-2-nitroprop-2-enoate</common-name> <description>Ethyl (z)-3-[(2e)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-2-nitroprop-2-enoate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C11H14N6O7 and an average molecular weight of 342.27 g/mol.</description> <cas>113597-40-3</cas> <pubchem-id>9589487</pubchem-id> <chemical-formula>C11H14N6O7</chemical-formula> <weight>342.27</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">2026-08-26T21:09:00Z</created-at> <updated-at type="dateTime">2026-08-26T21:09:00Z</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>CCOC(=O)C(=CNN=C1C(C(=O)N(C(=O)N1C)C)N=O)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C11H14N6O7</moldb-formula> <moldb-inchi>InChI=1S/C11H14N6O7/c1-4-24-10(19)6(17(22)23)5-12-13-8-7(14-21)9(18)16(3)11(20)15(8)2/h5,7,12H,4H2,1-3H3/b6-5-,13-8+</moldb-inchi> <moldb-inchikey>KNWKWXGDPFKYHT-AVHOOITRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">342.0923968</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM277079</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>Ethyl (z)-3-[(2e)-2-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinyl]-2-nitroprop-2-enoate</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>CED0233178</sync-id> <structure-inchikey>KNWKWXGDPFKYHT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000800800000000000010000000000000800000000000100000100002000020000000000000400000000000000000000240004000000000000000100000000000002000000000000020000000104300001004000000400000800000010000000200000000000000000000000100000000001010000000100000000040000000002000000000004080000020000000000000020000000000000000000000000000000000280000008000000000000000000000000000000000000000000000000040000000000000010000000000002000000000000000000000000000000000000000000000000400040010081000000000000000000000</structure-fingerprint> 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