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

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4-dimethylbenzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3/c1-12-7-8-17(13(2)9-12)19(23)24-14(3)18(22)21-16-6-4-5-15(10-16)11-20/h4-10,14H,1-3H3,(H,21,22)