(4-cyanophenyl) 3,5-dimethylbenzoate

Systemtic Name: (4-cyanophenyl) 3,5-dimethylbenzoate Openeye Name: (4-cyanophenyl) 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (4-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=C(C=C2)C#N)C

Isomeric SMILES

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

InChI

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