3-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid

Systemtic Name: 3-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid Openeye Name: 3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid CAS Name: 3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid IUPAC Name: 3-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid Traditional Name: 3-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]propionic acid Formula: C12H12BrN3O4 MolecularWeight: 342.14538

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCC(=O)O)Br

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCCC(=O)O)Br

InChI

InChI=1S/C12H12BrN3O4/c13-7-3-6(5-14-2-1-9(17)18)10-8(4-7)15-11(19)12(20)16-10/h3-4,14H,1-2,5H2,(H,15,19)(H,16,20)(H,17,18)