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

Systemtic Name: 5-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]-5-keto-valeric acid Formula: C14H14BrN3O5 MolecularWeight: 384.18206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O5/c15-8-4-7(6-16-10(19)2-1-3-11(20)21)12-9(5-8)17-13(22)14(23)18-12/h4-5H,1-3,6H2,(H,16,19)(H,17,22)(H,18,23)(H,20,21)