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

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-acetamidobenzoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H17N3O4/c1-12(18(24)22-17-5-3-4-14(10-17)11-20)26-19(25)15-6-8-16(9-7-15)21-13(2)23/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1