[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H16N2O3/c1-12-4-3-5-16(10-12)20-17(21)13(2)23-18(22)15-8-6-14(11-19)7-9-15/h3-10,13H,1-2H3,(H,20,21)