6-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)cinnolin-2-ium-4-olate

Systemtic Name: 6-bromanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)cinnolin-2-ium-4-olate Openeye Name: 6-bromo-2-(2-ethoxy-2-oxo-ethyl)cinnolin-2-ium-4-olate CAS Name: 6-bromo-2-(2-ethoxy-2-oxoethyl)-4-cinnolin-2-iumolate IUPAC Name: 6-bromo-2-(2-ethoxy-2-oxoethyl)cinnolin-2-ium-4-olate Traditional Name: 6-bromo-2-(2-ethoxy-2-keto-ethyl)cinnolin-2-ium-4-olate Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=NC2=C(C=C(C=C2)Br)C(=C1)[O-]

Isomeric SMILES

CCOC(=O)C[N+]1=NC2=C(C=C(C=C2)Br)C(=C1)[O-]

InChI

InChI=1S/C12H11BrN2O3/c1-2-18-12(17)7-15-6-11(16)9-5-8(13)3-4-10(9)14-15/h3-6H,2,7H2,1H3