(3,4-dimethylphenyl) 3-cyanobenzoate

Systemtic Name: (3,4-dimethylphenyl) 3-cyanobenzoate Openeye Name: (3,4-dimethylphenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3,4-dimethylphenyl) ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C16H13NO2/c1-11-6-7-15(8-12(11)2)19-16(18)14-5-3-4-13(9-14)10-17/h3-9H,1-2H3