[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H16N2O3/c1-12-4-2-3-5-14(12)10-18-15(19)11-21-16(20)13-6-8-17-9-7-13/h2-9H,10-11H2,1H3,(H,18,19)