2-(4-bromanylbutyl)-1-oxidanylidene-3H-cinnolin-1-ium-4-one

Systemtic Name: 2-(4-bromanylbutyl)-1-oxidanylidene-3H-cinnolin-1-ium-4-one Openeye Name: 2-(4-bromobutyl)-1-oxo-3H-cinnolin-1-ium-4-one CAS Name: 2-(4-bromobutyl)-1-oxo-3H-cinnolin-1-ium-4-one IUPAC Name: 2-(4-bromobutyl)-1-oxo-3H-cinnolin-1-ium-4-one Traditional Name: 2-(4-bromobutyl)-1-keto-3H-cinnolin-1-ium-4-one Formula: C12H14BrN2O2+ MolecularWeight: 298.15576

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=CC=CC=C2[N+](=O)N1CCCCBr

Isomeric SMILES

C1C(=O)C2=CC=CC=C2[N+](=O)N1CCCCBr

InChI

InChI=1S/C12H14BrN2O2/c13-7-3-4-8-14-9-12(16)10-5-1-2-6-11(10)15(14)17/h1-2,5-6H,3-4,7-9H2/q+1