[2-oxidanylidene-2-[[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]amino]ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]amino]ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl] ester Formula: C16H11ClF3N5O3 MolecularWeight: 413.73845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)NC(=O)COC(=O)C2=CC(=CN2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)NC(=O)COC(=O)C2=CC(=CN2)Cl)N3C=NC=N3

InChI

InChI=1S/C16H11ClF3N5O3/c17-10-4-12(22-5-10)15(27)28-6-14(26)24-11-3-9(16(18,19)20)1-2-13(11)25-8-21-7-23-25/h1-5,7-8,22H,6H2,(H,24,26)