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

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: [1-methyl-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 [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H20F3N3O4 MolecularWeight: 399.36431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3O4/c1-4-8-22-16(25)11(2)28-17(26)15-14(27-3)10-24(23-15)13-7-5-6-12(9-13)18(19,20)21/h5-7,9-11H,4,8H2,1-3H3,(H,22,25)