[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2)OC

InChI

InChI=1S/C16H15NO5/c1-20-14-4-3-12(9-15(14)21-2)13(18)10-22-16(19)11-5-7-17-8-6-11/h3-9H,10H2,1-2H3