[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylbenzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

InChI

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