[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-ethanoyl-phenyl-(phosphonomethyl)azanium

Systemtic Name: [7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-ethanoyl-phenyl-(phosphonomethyl)azanium Openeye Name: acetyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-phenyl-(phosphonomethyl)ammonium CAS Name: acetyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-phenyl-(phosphonomethyl)ammonium IUPAC Name: acetyl-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-phenyl-(phosphonomethyl)azanium Traditional Name: acetyl-[(7-bromo-2,3-diketo-1,4-dihydroquinoxalin-5-yl)methyl]-phenyl-(phosphonomethyl)ammonium Formula: C18H18BrN3O6P+ MolecularWeight: 483.229781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](CC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)(CP(=O)(O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)[N+](CC1=CC(=CC2=C1NC(=O)C(=O)N2)Br)(CP(=O)(O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H17BrN3O6P/c1-11(23)22(10-29(26,27)28,14-5-3-2-4-6-14)9-12-7-13(19)8-15-16(12)21-18(25)17(24)20-15/h2-8H,9-10H2,1H3,(H3-,20,21,24,25,26,27,28)/p+1