ethyl 3-[2-azanyl-6,7-bis(chloranyl)quinoxalin-1-ium-1-yl]-2-oxidanylidene-propanoate bromide

Systemtic Name: ethyl 3-[2-azanyl-6,7-bis(chloranyl)quinoxalin-1-ium-1-yl]-2-oxidanylidene-propanoate bromide Openeye Name: ethyl 3-(2-amino-6,7-dichloro-quinoxalin-1-ium-1-yl)-2-oxo-propanoate bromide CAS Name: 3-(2-amino-6,7-dichloro-1-quinoxalin-1-iumyl)-2-oxopropanoic acid ethyl ester bromide IUPAC Name: ethyl 3-(2-amino-6,7-dichloroquinoxalin-1-ium-1-yl)-2-oxopropanoate bromide Traditional Name: 3-(2-amino-6,7-dichloro-quinoxalin-1-ium-1-yl)-2-keto-propionic acid ethyl ester bromide Formula: C13H12BrCl2N3O3 MolecularWeight: 409.06268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C[N+]1=C(C=NC2=CC(=C(C=C21)Cl)Cl)N.[Br-]

Isomeric SMILES

CCOC(=O)C(=O)C[N+]1=C(C=NC2=CC(=C(C=C21)Cl)Cl)N.[Br-]

InChI

InChI=1S/C13H11Cl2N3O3.BrH/c1-2-21-13(20)11(19)6-18-10-4-8(15)7(14)3-9(10)17-5-12(18)16;/h3-5,16H,2,6H2,1H3;1H