[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-])OC

InChI

InChI=1S/C16H16N2O6/c1-22-13-7-6-11(9-14(13)23-2)17-15(19)10-24-16(20)12-5-3-4-8-18(12)21/h3-9H,10H2,1-2H3,(H,17,19)