[(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H](C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H15ClN2O3/c1-11-6-7-15(19)9-16(11)21-17(22)12(2)24-18(23)14-5-3-4-13(8-14)10-20/h3-9,12H,1-2H3,(H,21,22)/t12-/m0/s1