ethyl 6-bromanyl-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6-bromanyl-3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6-bromo-3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 6-bromo-3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 6-bromo-1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C12H11BrN2O4 MolecularWeight: 327.13074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O4/c1-3-19-12(16)11-7(2)14(17)10-6-8(13)4-5-9(10)15(11)18/h4-6H,3H2,1-2H3