methyl 3-(3-chlorophenyl)-4,4-dicyano-2-methyl-butanoate

Systemtic Name: methyl 3-(3-chlorophenyl)-4,4-dicyano-2-methyl-butanoate Openeye Name: methyl 3-(3-chlorophenyl)-4,4-dicyano-2-methyl-butanoate CAS Name: 3-(3-chlorophenyl)-4,4-dicyano-2-methylbutanoic acid methyl ester IUPAC Name: methyl 3-(3-chlorophenyl)-4,4-dicyano-2-methylbutanoate Traditional Name: 3-(3-chlorophenyl)-4,4-dicyano-2-methyl-butyric acid methyl ester Formula: C14H13ClN2O2 MolecularWeight: 276.71822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O2/c1-9(14(18)19-2)13(11(7-16)8-17)10-4-3-5-12(15)6-10/h3-6,9,11,13H,1-2H3