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

Systemtic Name: 3-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxidanylidene-pyridin-3-yl]carbonylamino]propyl nitrate Openeye Name: 3-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxo-pyridine-3-carbonyl]amino]propyl nitrate CAS Name: nitric acid 3-[[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxo-3-pyridinyl]-oxomethyl]amino]propyl ester IUPAC Name: 3-[[1-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-oxopyridine-3-carbonyl]amino]propyl nitrate Traditional Name: nitric acid 3-[(2-keto-5-nitro-1-veratryl-nicotinoyl)amino]propyl ester Formula: C18H20N4O9 MolecularWeight: 436.3728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O9/c1-29-15-5-4-12(8-16(15)30-2)10-20-11-13(21(25)26)9-14(18(20)24)17(23)19-6-3-7-31-22(27)28/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,19,23)