1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]-5-nitro-2-oxo-pyridine-3-carboxamide CAS Name: 1-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl]-5-nitro-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide Traditional Name: 1-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl]-2-keto-5-nitro-nicotinamide Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S/c1-27-14-5-3-4-12(15(14)28-2)17-20-10(9-29-17)7-21-8-11(22(25)26)6-13(16(19)23)18(21)24/h3-6,8-9H,7H2,1-2H3,(H2,19,23)