2-(4-bromanylpyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butyramide Formula: C20H16BrF3N4O4 MolecularWeight: 513.26465

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])N3C=C(C=N3)Br

InChI

InChI=1S/C20H16BrF3N4O4/c1-2-18(27-11-13(21)10-25-27)19(29)26-14-7-15(28(30)31)9-17(8-14)32-16-5-3-4-12(6-16)20(22,23)24/h3-11,18H,2H2,1H3,(H,26,29)