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

Systemtic Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-8H-pyrimido[4,5-c]pyridazin-1-ium-5-one Openeye Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-8H-pyrimido[4,5-c]pyridazin-1-ium-5-one CAS Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-8H-pyrimido[4,5-c]pyridazin-1-ium-5-one IUPAC Name: 1-[(2,4-dinitrophenyl)methyl]-4-nitro-8H-pyrimido[4,5-c]pyridazin-1-ium-5-one Traditional Name: 1-(2,4-dinitrobenzyl)-4-nitro-8H-pyrimido[4,5-c]pyridazin-1-ium-5-one Formula: C13H8N7O7+ MolecularWeight: 374.24532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C[N+]2=NC=C(C3=C2NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C[N+]2=NC=C(C3=C2NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C13H7N7O7/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/h1-4,6H,5H2/p+1