[2-nitro-4-(trifluoromethyl)phenyl] 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate

Systemtic Name: [2-nitro-4-(trifluoromethyl)phenyl] 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)benzoate Openeye Name: [2-nitro-4-(trifluoromethyl)phenyl] 3-(1-cyano-2-oxo-3-phenyl-propyl)benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)benzoic acid [2-nitro-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-nitro-4-(trifluoromethyl)phenyl] 3-(1-cyano-2-oxo-3-phenylpropyl)benzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)benzoic acid [2-nitro-4-(trifluoromethyl)phenyl] ester Formula: C24H15F3N2O5 MolecularWeight: 468.38151

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC=CC(=C2)C(=O)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H15F3N2O5/c25-24(26,27)18-9-10-22(20(13-18)29(32)33)34-23(31)17-8-4-7-16(12-17)19(14-28)21(30)11-15-5-2-1-3-6-15/h1-10,12-13,19H,11H2