5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride

Systemtic Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Openeye Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride CAS Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride IUPAC Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Traditional Name: 5-[[bis(2-hydroxyethyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrochloride Formula: C13H17ClN4O6 MolecularWeight: 360.75028

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN(CCO)CCO)[N+](=O)[O-].Cl

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN(CCO)CCO)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N4O6.ClH/c18-3-1-16(2-4-19)7-8-5-9(17(22)23)6-10-11(8)15-13(21)12(20)14-10;/h5-6,18-19H,1-4,7H2,(H,14,20)(H,15,21);1H