[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c1-11-6-12(2)8-14(7-11)18-15(19)10-21-16(20)13-4-3-5-17-9-13/h3-9H,10H2,1-2H3,(H,18,19)