(2,4-dimethylphenyl) 4-cyanobenzoate

Systemtic Name: (2,4-dimethylphenyl) 4-cyanobenzoate Openeye Name: (2,4-dimethylphenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2,4-dimethylphenyl) ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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