[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13ClN2O3 MolecularWeight: 328.74972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O3/c1-11(23-17(22)13-5-3-6-14(18)9-13)16(21)20-15-7-2-4-12(8-15)10-19/h2-9,11H,1H3,(H,20,21)/t11-/m1/s1