2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]-3-phenyl-propanoic acid hydrobromide

Systemtic Name: 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]methylamino]-3-phenyl-propanoic acid hydrobromide Openeye Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenyl-propanoic acid hydrobromide CAS Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenylpropanoic acid hydrobromide IUPAC Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenylpropanoic acid hydrobromide Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-6-yl)methylamino]-3-phenyl-propionic acid hydrobromide Formula: C18H17BrN4O6 MolecularWeight: 465.25478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.Br

InChI

InChI=1S/C18H16N4O6.BrH/c23-16-17(24)21-13-8-15(22(27)28)11(7-12(13)20-16)9-19-14(18(25)26)6-10-4-2-1-3-5-10;/h1-5,7-8,14,19H,6,9H2,(H,20,23)(H,21,24)(H,25,26);1H