1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1,2,4-triazole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1,2,4-triazole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1,2,4-triazole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1,2,4-triazole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-nitro-1,2,4-triazole Traditional Name: 3-nitro-1-piperonyl-1,2,4-triazole Formula: C10H8N4O4 MolecularWeight: 248.19492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O4/c15-14(16)10-11-5-13(12-10)4-7-1-2-8-9(3-7)18-6-17-8/h1-3,5H,4,6H2