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

Systemtic Name: 2-[[5-nitro-2-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[5-nitro-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[5-nitro-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[5-nitro-2-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[2-keto-5-nitro-1-(3,4,5-trimethoxybenzyl)nicotinoyl]amino]ethyl ester Formula: C18H20N4O10 MolecularWeight: 452.3722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C=C(C=C(C2=O)C(=O)NCCO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O10/c1-29-14-6-11(7-15(30-2)16(14)31-3)9-20-10-12(21(25)26)8-13(18(20)24)17(23)19-4-5-32-22(27)28/h6-8,10H,4-5,9H2,1-3H3,(H,19,23)