2-[[1-[[4-(cyclopropylmethoxy)-3-methoxy-phenyl]methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[1-[[4-(cyclopropylmethoxy)-3-methoxy-phenyl]methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[1-[[4-(cyclopropylmethoxy)-3-methoxy-phenyl]methyl]-5-nitro-2-oxo-pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[1-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-5-nitro-2-oxo-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]-5-nitro-2-oxopyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[1-[4-(cyclopropylmethoxy)-3-methoxy-benzyl]-2-keto-5-nitro-nicotinoyl]amino]ethyl ester Formula: C20H22N4O9 MolecularWeight: 462.41008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-])OCC3CC3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-])OCC3CC3

InChI

InChI=1S/C20H22N4O9/c1-31-18-8-14(4-5-17(18)32-12-13-2-3-13)10-22-11-15(23(27)28)9-16(20(22)26)19(25)21-6-7-33-24(29)30/h4-5,8-9,11,13H,2-3,6-7,10,12H2,1H3,(H,21,25)