(3-cyanophenyl) 3,5-dimethylbenzoate

Systemtic Name: (3-cyanophenyl) 3,5-dimethylbenzoate Openeye Name: (3-cyanophenyl) 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (3-cyanophenyl) ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2=CC=CC(=C2)C#N)C

InChI

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