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

Systemtic Name: 2-[[1-[(2-methoxyphenyl)methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[1-[(2-methoxyphenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[1-[(2-methoxyphenyl)methyl]-5-nitro-2-oxo-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-[(2-methoxyphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[(2-keto-5-nitro-1-o-anisyl-nicotinoyl)amino]ethyl ester Formula: C16H16N4O8 MolecularWeight: 392.32024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O8/c1-27-14-5-3-2-4-11(14)9-18-10-12(19(23)24)8-13(16(18)22)15(21)17-6-7-28-20(25)26/h2-5,8,10H,6-7,9H2,1H3,(H,17,21)