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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10ClF3N2O6 MolecularWeight: 418.70861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C16H10ClF3N2O6/c17-12-6-3-10(7-13(12)22(25)26)21-14(23)8-27-15(24)9-1-4-11(5-2-9)28-16(18,19)20/h1-7H,8H2,(H,21,23)