methyl 3-chloranyl-2-cyano-3-(4-methylphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 3-chloranyl-2-cyano-3-(4-methylphenyl)-2-oxidanyl-propanoate Openeye Name: methyl 3-chloro-2-cyano-2-hydroxy-3-(p-tolyl)propanoate CAS Name: 3-chloro-2-cyano-2-hydroxy-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-chloro-2-cyano-2-hydroxy-3-(4-methylphenyl)propanoate Traditional Name: 3-chloro-2-cyano-2-hydroxy-3-(p-tolyl)propionic acid methyl ester Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-8-3-5-9(6-4-8)10(13)12(16,7-14)11(15)17-2/h3-6,10,16H,1-2H3