5-[(4-methylimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 5-[(4-methylimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(4-methylimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[(4-methyl-1-imidazolyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(4-methylimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[(4-methylimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C13H12BrN5O4 MolecularWeight: 382.16948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

Isomeric SMILES

CC1=CN(C=N1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-].Br

InChI

InChI=1S/C13H11N5O4.BrH/c1-7-4-17(6-14-7)5-8-2-9(18(21)22)3-10-11(8)16-13(20)12(19)15-10;/h2-4,6H,5H2,1H3,(H,15,19)(H,16,20);1H