6-nitrospiro[4H-cinnolin-1-ium-1,1'-azepan-1-ium]-3-olate

Systemtic Name: 6-nitrospiro[4H-cinnolin-1-ium-1,1'-azepan-1-ium]-3-olate Openeye Name: 6-nitrospiro[4H-cinnolin-1-ium-1,1'-azepan-1-ium]-3-olate CAS Name: 6-nitro-3-spiro[4H-cinnolin-1-ium-1,1'-azepan-1-ium]olate IUPAC Name: 6-nitrospiro[4H-cinnolin-1-ium-1,1'-azepan-1-ium]-3-olate Traditional Name: 6-nitrospiro[4H-cinnolin-1-ium-1,1'-azepan-1-ium]-3-olate Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+]2(CC1)C3=C(CC(=N2)[O-])C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC[N+]2(CC1)C3=C(CC(=N2)[O-])C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3/c18-14-10-11-9-12(16(19)20)5-6-13(11)17(15-14)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2