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

Systemtic Name: 2-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-phenyl-propanoic acid hydrobromide Openeye Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenyl-propanoic acid hydrobromide CAS Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenylpropanoic acid hydrobromide IUPAC Name: 2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenylpropanoic acid hydrobromide Traditional Name: 2-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-phenyl-propionic acid hydrobromide Formula: C18H17Br2N3O4 MolecularWeight: 499.15328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)Br.Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)Br.Br

InChI

InChI=1S/C18H16BrN3O4.BrH/c19-12-7-11(15-13(8-12)21-16(23)17(24)22-15)9-20-14(18(25)26)6-10-4-2-1-3-5-10;/h1-5,7-8,14,20H,6,9H2,(H,21,23)(H,22,24)(H,25,26);1H