ethyl 5-azanyl-1-[4-bromanyl-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-bromanyl-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-bromo-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-bromo-3-(trifluoromethyl)phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-bromo-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-bromo-3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C13H11BrF3N3O2 MolecularWeight: 378.14455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)Br)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=C(C=C2)Br)C(F)(F)F)N

InChI

InChI=1S/C13H11BrF3N3O2/c1-2-22-12(21)8-6-19-20(11(8)18)7-3-4-10(14)9(5-7)13(15,16)17/h3-6H,2,18H2,1H3