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

Systemtic Name: [1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-methyl-butyl]phosphonic acid hydrobromide Openeye Name: [1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-methyl-butyl]phosphonic acid hydrobromide CAS Name: [1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-methylbutyl]phosphonic acid hydrobromide IUPAC Name: [1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-methylbutyl]phosphonic acid hydrobromide Traditional Name: [1-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methylamino]-3-methyl-butyl]phosphonic acid hydrobromide Formula: C14H20Br2N3O5P MolecularWeight: 501.107461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)P(=O)(O)O.Br

Isomeric SMILES

CC(C)CC(NCC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)P(=O)(O)O.Br

InChI

InChI=1S/C14H19BrN3O5P.BrH/c1-7(2)3-11(24(21,22)23)16-6-8-4-9(15)5-10-12(8)18-14(20)13(19)17-10;/h4-5,7,11,16H,3,6H2,1-2H3,(H,17,19)(H,18,20)(H2,21,22,23);1H