4,5-dinitro-8aH-quinolin-1-ium 1-oxide

Systemtic Name: 4,5-dinitro-8aH-quinolin-1-ium 1-oxide Openeye Name: 4,5-dinitro-8aH-quinolin-1-ium 1-oxide CAS Name: 4,5-dinitro-8aH-quinolin-1-ium 1-oxide IUPAC Name: 4,5-dinitro-8aH-quinolin-1-ium 1-oxide Traditional Name: 4,5-dinitro-8aH-quinolin-1-ium 1-oxide Formula: C9H6N3O5+ MolecularWeight: 236.16104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=C(C=C[N+]2=O)[N+](=O)[O-])C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=CC2C(=C(C=C[N+]2=O)[N+](=O)[O-])C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H6N3O5/c13-10-5-4-8(12(16)17)9-6(10)2-1-3-7(9)11(14)15/h1-6H/q+1