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

Systemtic Name: ethyl 3-[2-azanyl-6,7-bis(bromanyl)-3-ethoxy-quinoxalin-1-ium-1-yl]-2-oxidanylidene-propanoate bromide Openeye Name: ethyl 3-(2-amino-6,7-dibromo-3-ethoxy-quinoxalin-1-ium-1-yl)-2-oxo-propanoate bromide CAS Name: 3-(2-amino-6,7-dibromo-3-ethoxy-1-quinoxalin-1-iumyl)-2-oxopropanoic acid ethyl ester bromide IUPAC Name: ethyl 3-(2-amino-6,7-dibromo-3-ethoxyquinoxalin-1-ium-1-yl)-2-oxopropanoate bromide Traditional Name: 3-(2-amino-6,7-dibromo-3-ethoxy-quinoxalin-1-ium-1-yl)-2-keto-propionic acid ethyl ester bromide Formula: C15H16Br3N3O4 MolecularWeight: 542.01724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC(=C(C=C2[N+](=C1N)CC(=O)C(=O)OCC)Br)Br.[Br-]

Isomeric SMILES

CCOC1=NC2=CC(=C(C=C2[N+](=C1N)CC(=O)C(=O)OCC)Br)Br.[Br-]

InChI

InChI=1S/C15H15Br2N3O4.BrH/c1-3-23-14-13(18)20(7-12(21)15(22)24-4-2)11-6-9(17)8(16)5-10(11)19-14;/h5-6,18H,3-4,7H2,1-2H3;1H