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

Systemtic Name: 2-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]pentanedioic acid Openeye Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]pentanedioic acid CAS Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]pentanedioic acid IUPAC Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]pentanedioic acid Traditional Name: 2-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]glutaric acid Formula: C14H14BrN3O6 MolecularWeight: 400.18146

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC(CCC(=O)O)C(=O)O)Br

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNC(CCC(=O)O)C(=O)O)Br

InChI

InChI=1S/C14H14BrN3O6/c15-7-3-6(5-16-8(14(23)24)1-2-10(19)20)11-9(4-7)17-12(21)13(22)18-11/h3-4,8,16H,1-2,5H2,(H,17,21)(H,18,22)(H,19,20)(H,23,24)