[1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-phenylmethoxybenzoate

Systemtic Name: [1-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-phenylmethoxybenzoate Openeye Name: [1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-benzyloxybenzoate CAS Name: 2-phenylmethoxybenzoic acid [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-phenylmethoxybenzoate Traditional Name: 2-benzoxybenzoic acid [2-keto-1-methyl-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C24H19F3N2O6 MolecularWeight: 488.41267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)OC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C24H19F3N2O6/c1-15(22(30)28-20-12-11-17(29(32)33)13-19(20)24(25,26)27)35-23(31)18-9-5-6-10-21(18)34-14-16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,28,30)