1-[(2,4-dinitrophenyl)methyl]-4-nitro-7,8-dihydro-6H-pyrimido[4,5-c]pyridazin-1-ium-5-one

Systemtic Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-7,8-dihydro-6H-pyrimido[4,5-c]pyridazin-1-ium-5-one Openeye Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-7,8-dihydro-6H-pyrimido[4,5-c]pyridazin-1-ium-5-one CAS Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-7,8-dihydro-6H-pyrimido[4,5-c]pyridazin-1-ium-5-one IUPAC Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-7,8-dihydro-6H-pyrimido[4,5-c]pyridazin-1-ium-5-one Traditional Name: 1-(2,4-dinitrobenzyl)-4-nitro-7,8-dihydro-6H-pyrimido[4,5-c]pyridazin-1-ium-5-one Formula: C13H10N7O7+ MolecularWeight: 376.2612

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(C(=CN=[N+]2CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)N1

Isomeric SMILES

C1NC2=C(C(=CN=[N+]2CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)N1

InChI

InChI=1S/C13H9N7O7/c21-13-11-10(20(26)27)4-16-17(12(11)14-6-15-13)5-7-1-2-8(18(22)23)3-9(7)19(24)25/h1-4H,5-6H2,(H,15,21)/p+1