[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C17H11ClF3N3O3 MolecularWeight: 397.73575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)N)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)N)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C17H11ClF3N3O3/c18-11-3-1-9(7-22)14(6-11)24-15(25)8-27-16(26)12-4-2-10(5-13(12)23)17(19,20)21/h1-6H,8,23H2,(H,24,25)