ethyl 1-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[(2-keto-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H14F3N3O3 MolecularWeight: 365.30657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C(F)(F)F)CC2=CC3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C(F)(F)F)CC2=CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H14F3N3O3/c1-2-26-16(25)12-9-23(22-14(12)17(18,19)20)8-11-7-10-5-3-4-6-13(10)21-15(11)24/h3-7,9H,2,8H2,1H3,(H,21,24)