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

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[4-chloro-2-(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[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

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