methyl (2S)-2-[(4-chlorophenyl)methylideneamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-chlorophenyl)methylideneamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(4-chlorophenyl)methyleneamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)methylideneamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chlorophenyl)methylideneamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzylidene)amino]-3-methyl-butyric acid methyl ester Formula: C13H16ClNO2 MolecularWeight: 253.72464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N=CC1=CC=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2/c1-9(2)12(13(16)17-3)15-8-10-4-6-11(14)7-5-10/h4-9,12H,1-3H3/t12-/m0/s1