3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[2-(4-nitro-1-pyrazolyl)ethyl]propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propionamide Formula: C13H14BrF3N6O3 MolecularWeight: 439.18787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NCCN2C=C(C=N2)[N+](=O)[O-])C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NCCN2C=C(C=N2)[N+](=O)[O-])C(F)(F)F)Br

InChI

InChI=1S/C13H14BrF3N6O3/c1-8-11(14)12(13(15,16)17)20-22(8)4-2-10(24)18-3-5-21-7-9(6-19-21)23(25)26/h6-7H,2-5H2,1H3,(H,18,24)