(4-chloranyl-2,6-dimethyl-phenyl) 3-cyanobenzoate

Systemtic Name: (4-chloranyl-2,6-dimethyl-phenyl) 3-cyanobenzoate Openeye Name: (4-chloro-2,6-dimethyl-phenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (4-chloro-2,6-dimethylphenyl) ester IUPAC Name: (4-chloro-2,6-dimethylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-chloro-2,6-dimethyl-phenyl) ester Formula: C16H12ClNO2 MolecularWeight: 285.72498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=CC(=C2)C#N)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=CC(=C2)C#N)C)Cl

InChI

InChI=1S/C16H12ClNO2/c1-10-6-14(17)7-11(2)15(10)20-16(19)13-5-3-4-12(8-13)9-18/h3-8H,1-2H3