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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=NC=C2)C

InChI

InChI=1S/C16H15NO3/c1-11-3-4-14(9-12(11)2)15(18)10-20-16(19)13-5-7-17-8-6-13/h3-9H,10H2,1-2H3