6-bromanyl-2-methyl-4-oxidanylidene-1H-cinnolin-2-ium-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-methyl-4-oxidanylidene-1H-cinnolin-2-ium-3-carboxylic acid Openeye Name: 6-bromo-2-methyl-4-oxo-1H-cinnolin-2-ium-3-carboxylic acid CAS Name: 6-bromo-2-methyl-4-oxo-1H-cinnolin-2-ium-3-carboxylic acid IUPAC Name: 6-bromo-2-methyl-4-oxo-1H-cinnolin-2-ium-3-carboxylic acid Traditional Name: 6-bromo-4-keto-2-methyl-1H-cinnolin-2-ium-3-carboxylic acid Formula: C10H8BrN2O3+ MolecularWeight: 284.08612

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C(=O)O

Isomeric SMILES

C[N+]1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C10H7BrN2O3/c1-13-8(10(15)16)9(14)6-4-5(11)2-3-7(6)12-13/h2-4H,1H3,(H-,12,14,15,16)/p+1