ethyl 4-(2-azanyl-4-chloranyl-phenyl)carbonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-4-chloranyl-phenyl)carbonyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(2-amino-4-chloro-benzoyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate CAS Name: 4-[(2-amino-4-chlorophenyl)-oxomethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-4-chlorobenzoyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Traditional Name: 4-(2-amino-4-chloro-benzoyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C14H11ClF3N3O3 MolecularWeight: 361.70365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1C(=O)C2=C(C=C(C=C2)Cl)N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NNC(=C1C(=O)C2=C(C=C(C=C2)Cl)N)C(F)(F)F

InChI

InChI=1S/C14H11ClF3N3O3/c1-2-24-13(23)10-9(12(21-20-10)14(16,17)18)11(22)7-4-3-6(15)5-8(7)19/h3-5H,2,19H2,1H3,(H,20,21)