2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(5-keto-1-phenyl-2-pyrazolin-3-yl)acetamide Formula: C13H10BrN7O4 MolecularWeight: 408.167

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)NC(=O)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H10BrN7O4/c14-12-16-13(21(24)25)18-19(12)7-10(22)15-9-6-11(23)20(17-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,17,22)