cyanomethyl 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: cyanomethyl 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: cyanomethyl 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid cyanomethyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC#N

InChI

InChI=1S/C18H15NO3/c1-12-7-8-13(2)16(11-12)17(20)14-5-3-4-6-15(14)18(21)22-10-9-19/h3-8,11H,10H2,1-2H3