6-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 6-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 6-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 6-[(2-methyl-1-aziridinyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 6-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 6-[(2-methylethylenimin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C12H13BrN4O4 MolecularWeight: 357.16002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN1CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.Br

Isomeric SMILES

CC1CN1CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3.Br

InChI

InChI=1S/C12H12N4O4.BrH/c1-6-4-15(6)5-7-2-8-9(3-10(7)16(19)20)14-12(18)11(17)13-8;/h2-3,6H,4-5H2,1H3,(H,13,17)(H,14,18);1H