3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-nitrophenyl)propionamide Formula: C14H12BrF3N4O3 MolecularWeight: 421.16929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C14H12BrF3N4O3/c1-8-12(15)13(14(16,17)18)20-21(8)7-6-11(23)19-9-2-4-10(5-3-9)22(24)25/h2-5H,6-7H2,1H3,(H,19,23)