3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C13H10BrF3N4O4 MolecularWeight: 423.14211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)OC(F)(F)F

InChI

InChI=1S/C13H10BrF3N4O4/c14-10-7-20(19-12(10)21(23)24)6-5-11(22)18-8-1-3-9(4-2-8)25-13(15,16)17/h1-4,7H,5-6H2,(H,18,22)