[4-(4-fluorophenyl)carbonylphenyl] 3-cyanobenzoate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 3-cyanobenzoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C21H12FNO3 MolecularWeight: 345.323283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C21H12FNO3/c22-18-8-4-15(5-9-18)20(24)16-6-10-19(11-7-16)26-21(25)17-3-1-2-14(12-17)13-23/h1-12H