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

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C12H13N9O3 MolecularWeight: 331.29012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N9O3/c1-18-6-9(5-15-18)4-13-11(22)10-2-3-19(16-10)8-20-7-14-12(17-20)21(23)24/h2-3,5-7H,4,8H2,1H3,(H,13,22)