N-(1,3-benzodioxol-5-yl)-5-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-amine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-(4-nitro-1H-pyrazol-5-yl)-1H-1,2,4-triazol-3-yl]amine Formula: C12H9N7O4 MolecularWeight: 315.24436

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=C(C=NN4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NNC(=N3)C4=C(C=NN4)[N+](=O)[O-]

InChI

InChI=1S/C12H9N7O4/c20-19(21)7-4-13-16-10(7)11-15-12(18-17-11)14-6-1-2-8-9(3-6)23-5-22-8/h1-4H,5H2,(H,13,16)(H2,14,15,17,18)