5-[[(2-methyl-1-oxidanyl-propan-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride

Systemtic Name: 5-[[(2-methyl-1-oxidanyl-propan-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Openeye Name: 5-[[(2-hydroxy-1,1-dimethyl-ethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride CAS Name: 5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride IUPAC Name: 5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Traditional Name: 5-[[(2-hydroxy-1,1-dimethyl-ethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrochloride Formula: C13H17ClN4O5 MolecularWeight: 344.75088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)(CO)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N4O5.ClH/c1-13(2,6-18)14-5-7-3-8(17(21)22)4-9-10(7)16-12(20)11(19)15-9;/h3-4,14,18H,5-6H2,1-2H3,(H,15,19)(H,16,20);1H