2-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide

Systemtic Name: 2-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide Openeye Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide CAS Name: 2-(4-bromo-3-methyl-1-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide IUPAC Name: 2-(4-bromo-3-methylpyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide Traditional Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propionamide Formula: C20H16BrF3N4O4 MolecularWeight: 513.26465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Br)C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrF3N4O4/c1-11-18(21)10-27(26-11)12(2)19(29)25-14-7-15(28(30)31)9-17(8-14)32-16-5-3-4-13(6-16)20(22,23)24/h3-10,12H,1-2H3,(H,25,29)