ethyl 3-(2-azanylquinoxalin-1-ium-1-yl)-2-oxidanylidene-propanoate bromide

Systemtic Name: ethyl 3-(2-azanylquinoxalin-1-ium-1-yl)-2-oxidanylidene-propanoate bromide Openeye Name: ethyl 3-(2-aminoquinoxalin-1-ium-1-yl)-2-oxo-propanoate bromide CAS Name: 3-(2-amino-1-quinoxalin-1-iumyl)-2-oxopropanoic acid ethyl ester bromide IUPAC Name: ethyl 3-(2-aminoquinoxalin-1-ium-1-yl)-2-oxopropanoate bromide Traditional Name: 3-(2-aminoquinoxalin-1-ium-1-yl)-2-keto-propionic acid ethyl ester bromide Formula: C13H14BrN3O3 MolecularWeight: 340.17256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3.BrH/c1-2-19-13(18)11(17)8-16-10-6-4-3-5-9(10)15-7-12(16)14;/h3-7,14H,2,8H2,1H3;1H