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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H10F3N3O6 MolecularWeight: 409.27301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10F3N3O6/c18-17(19,20)29-13-4-1-10(2-5-13)16(25)28-9-15(24)22-14-6-3-12(23(26)27)7-11(14)8-21/h1-7H,9H2,(H,22,24)