[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C23H16ClF3N2O5 MolecularWeight: 492.83175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClF3N2O5/c1-13-11-15(7-10-19(13)29(32)33)22(31)34-20(14-5-3-2-4-6-14)21(30)28-18-12-16(23(25,26)27)8-9-17(18)24/h2-12,20H,1H3,(H,28,30)