[2-oxidanylidene-2-(propylamino)ethyl] 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O4/c1-3-7-21-14(24)10-27-16(25)15-13(26-2)9-23(22-15)12-6-4-5-11(8-12)17(18,19)20/h4-6,8-9H,3,7,10H2,1-2H3,(H,21,24)