triethyl-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]azanium bromide

Systemtic Name: triethyl-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]azanium bromide Openeye Name: triethyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]ammonium bromide CAS Name: triethyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]ammonium bromide IUPAC Name: triethyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]azanium bromide Traditional Name: (2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl-triethyl-ammonium bromide Formula: C15H21BrN4O4 MolecularWeight: 401.25564

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H20N4O4.BrH/c1-4-19(5-2,6-3)9-10-7-11(18(22)23)8-12-13(10)17-15(21)14(20)16-12;/h7-8H,4-6,9H2,1-3H3,(H-,16,17,20,21);1H