[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H16N2O3/c1-13-5-2-3-7-16(13)11-20-17(21)12-23-18(22)15-8-4-6-14(9-15)10-19/h2-9H,11-12H2,1H3,(H,20,21)