(2,3,6-trimethylphenyl) 4-cyanobenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-cyanobenzoate Openeye Name: (2,3,6-trimethylphenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2,3,6-trimethylphenyl) ester Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2/c1-11-4-5-12(2)16(13(11)3)20-17(19)15-8-6-14(10-18)7-9-15/h4-9H,1-3H3