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

Systemtic Name: N-(2-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C13H10N8O5 MolecularWeight: 358.2691

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H10N8O5/c22-12(15-9-3-1-2-4-11(9)20(23)24)10-5-6-18(16-10)8-19-7-14-13(17-19)21(25)26/h1-7H,8H2,(H,15,22)