[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C17H12F3N3O3 MolecularWeight: 363.29069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)11-3-6-13(14(22)7-11)16(25)26-9-15(24)23-12-4-1-10(8-21)2-5-12/h1-7H,9,22H2,(H,23,24)