ethyl 2-[2-chloranyl-4-(trifluoromethyl)phenyl]-3-oxidanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[2-chloranyl-4-(trifluoromethyl)phenyl]-3-oxidanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-4-carboxylate CAS Name: 2-[2-chloro-4-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-4-carboxylate Traditional Name: 1-[2-chloro-4-(trifluoromethyl)phenyl]-5-keto-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H10ClF3N2O3 MolecularWeight: 334.67831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=O)C2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=CNN(C1=O)C2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C13H10ClF3N2O3/c1-2-22-12(21)8-6-18-19(11(8)20)10-4-3-7(5-9(10)14)13(15,16)17/h3-6,18H,2H2,1H3