[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-oxidanyl-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-oxidanyl-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-hydroxy-1-[2-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=NN(C=C1O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=NN(C=C1O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H18F3N3O4/c1-10(2)7-21-14(25)9-27-16(26)15-13(24)8-23(22-15)12-6-4-3-5-11(12)17(18,19)20/h3-6,8,10,24H,7,9H2,1-2H3,(H,21,25)