methyl 3-(4-chloranyl-2-cyano-phenyl)-2-methyl-propanoate

Systemtic Name: methyl 3-(4-chloranyl-2-cyano-phenyl)-2-methyl-propanoate Openeye Name: methyl 3-(4-chloro-2-cyano-phenyl)-2-methyl-propanoate CAS Name: 3-(4-chloro-2-cyanophenyl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-chloro-2-cyanophenyl)-2-methylpropanoate Traditional Name: 3-(4-chloro-2-cyano-phenyl)-2-methyl-propionic acid methyl ester Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO2/c1-8(12(15)16-2)5-9-3-4-11(13)6-10(9)7-14/h3-4,6,8H,5H2,1-2H3