(4-cyanophenyl) 2,5-dimethylbenzoate

Systemtic Name: (4-cyanophenyl) 2,5-dimethylbenzoate Openeye Name: (4-cyanophenyl) 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid (4-cyanophenyl) ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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