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

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C17H12ClF3N2O5 MolecularWeight: 416.73579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClF3N2O5/c1-9-6-10(2-5-14(9)23(26)27)16(25)28-8-15(24)22-13-7-11(17(19,20)21)3-4-12(13)18/h2-7H,8H2,1H3,(H,22,24)