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

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C17H12ClF3N2O5S MolecularWeight: 448.80079

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H12ClF3N2O5S/c1-29-10-3-4-13(18)11(7-10)16(25)28-8-15(24)22-14-5-2-9(23(26)27)6-12(14)17(19,20)21/h2-7H,8H2,1H3,(H,22,24)