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3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]propanoic acid hydrobromide

3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]propanoic acid hydrobromide

Systemtic Name:3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]propanoic acid hydrobromide
Openeye Name:3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]propanoic acid hydrobromide
CAS Name:3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]propanoic acid hydrobromide
IUPAC Name:3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]propanoic acid hydrobromide
Traditional Name:3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)methylamino]propionic acid hydrobromide
Formula: C12H13BrN4O6
MolecularWeight: 389.15882
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])CNCCC(=O)O.Br


Isomeric SMILES

C1=C(C(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])CNCCC(=O)O.Br


InChI

InChI=1S/C12H12N4O6.BrH/c17-10(18)1-2-13-5-6-3-7-8(4-9(6)16(21)22)15-12(20)11(19)14-7;/h3-4,13H,1-2,5H2,(H,14,19)(H,15,20)(H,17,18);1H


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