2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C11H7BrF3N5O3 MolecularWeight: 394.10419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C(F)(F)F

InChI

InChI=1S/C11H7BrF3N5O3/c12-9-17-10(20(22)23)18-19(9)5-8(21)16-7-3-1-2-6(4-7)11(13,14)15/h1-4H,5H2,(H,16,21)