8-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3,7-dihydropurin-6-one

Systemtic Name: 8-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3,7-dihydropurin-6-one Openeye Name: 8-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-3,7-dihydropurin-6-one CAS Name: 8-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3,7-dihydropurin-6-one IUPAC Name: 8-[(2Z)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3,7-dihydropurin-6-one Traditional Name: 8-[(N'Z)-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylene]hydrazino]-3,7-dihydropurin-6-one Formula: C13H9N7O5 MolecularWeight: 343.25446

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC3=NC4=C(N3)C(=O)N=CN4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N\NC3=NC4=C(N3)C(=O)N=CN4)[N+](=O)[O-]

InChI

InChI=1S/C13H9N7O5/c21-12-10-11(14-4-15-12)18-13(17-10)19-16-3-6-1-8-9(25-5-24-8)2-7(6)20(22)23/h1-4H,5H2,(H3,14,15,17,18,19,21)/b16-3-