1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-phenyl-pyrazole-3-carboxamide

Systemtic Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-phenyl-pyrazole-3-carboxamide Openeye Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-phenyl-pyrazole-3-carboxamide CAS Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-phenyl-3-pyrazolecarboxamide IUPAC Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide Traditional Name: 1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-N-phenyl-pyrazole-3-carboxamide Formula: C13H11N7O3 MolecularWeight: 313.27154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N7O3/c21-12(15-10-4-2-1-3-5-10)11-6-7-18(16-11)9-19-8-14-13(17-19)20(22)23/h1-8H,9H2,(H,15,21)