2-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxo-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[(2-keto-5-nitro-1-veratryl-nicotinoyl)amino]ethyl ester Formula: C17H18N4O9 MolecularWeight: 422.34622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N4O9/c1-28-14-4-3-11(7-15(14)29-2)9-19-10-12(20(24)25)8-13(17(19)23)16(22)18-5-6-30-21(26)27/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,22)