[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O3/c1-12(22-17(21)14-5-3-2-4-6-14)16(20)19-15-9-7-13(11-18)8-10-15/h2-10,12H,1H3,(H,19,20)/t12-/m1/s1