2-[[7-bromanyl-6-ethyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[7-bromanyl-6-ethyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(7-bromo-6-ethyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]acetic acid CAS Name: 2-[(7-bromo-6-ethyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetic acid IUPAC Name: 2-[(7-bromo-6-ethyl-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetic acid Traditional Name: 2-[(7-bromo-6-ethyl-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]acetic acid Formula: C14H16BrN3O4 MolecularWeight: 370.19854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1CN(C)CC(=O)O)NC(=O)C(=O)N2)Br

Isomeric SMILES

CCC1=C(C=C2C(=C1CN(C)CC(=O)O)NC(=O)C(=O)N2)Br

InChI

InChI=1S/C14H16BrN3O4/c1-3-7-8(5-18(2)6-11(19)20)12-10(4-9(7)15)16-13(21)14(22)17-12/h4H,3,5-6H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)