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

Systemtic Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-(3-nitro-1,2,4-triazol-1-yl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide Formula: C13H11N7O4 MolecularWeight: 329.27094

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H11N7O4/c21-11(7-18-8-14-13(17-18)20(23)24)15-10-6-12(22)19(16-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16,21)