ethyl 3-(2-azanyl-3-chloranyl-quinoxalin-1-ium-1-yl)-2-oxidanylidene-propanoate bromide

Systemtic Name: ethyl 3-(2-azanyl-3-chloranyl-quinoxalin-1-ium-1-yl)-2-oxidanylidene-propanoate bromide Openeye Name: ethyl 3-(2-amino-3-chloro-quinoxalin-1-ium-1-yl)-2-oxo-propanoate bromide CAS Name: 3-(2-amino-3-chloro-1-quinoxalin-1-iumyl)-2-oxopropanoic acid ethyl ester bromide IUPAC Name: ethyl 3-(2-amino-3-chloroquinoxalin-1-ium-1-yl)-2-oxopropanoate bromide Traditional Name: 3-(2-amino-3-chloro-quinoxalin-1-ium-1-yl)-2-keto-propionic acid ethyl ester bromide Formula: C13H13BrClN3O3 MolecularWeight: 374.61762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3.BrH/c1-2-20-13(19)10(18)7-17-9-6-4-3-5-8(9)16-11(14)12(17)15;/h3-6,15H,2,7H2,1H3;1H