ethyl 5-azanyl-1-[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C13H10ClF4N3O2 MolecularWeight: 351.684013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Cl)C(F)(F)F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2Cl)C(F)(F)F)F)N

InChI

InChI=1S/C13H10ClF4N3O2/c1-2-23-12(22)7-5-20-21(11(7)19)10-8(14)3-6(4-9(10)15)13(16,17)18/h3-5H,2,19H2,1H3