3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propionamide Formula: C19H13BrF3N5O6 MolecularWeight: 544.23563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C19H13BrF3N5O6/c20-16-10-26(25-18(16)28(32)33)5-4-17(29)24-12-7-13(27(30)31)9-15(8-12)34-14-3-1-2-11(6-14)19(21,22)23/h1-3,6-10H,4-5H2,(H,24,29)