5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride

Systemtic Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Openeye Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride CAS Name: 5-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride IUPAC Name: 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride Traditional Name: 5-[(2-methylolpyrrolidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrochloride Formula: C14H17ClN4O5 MolecularWeight: 356.76158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])CO.Cl

Isomeric SMILES

C1CC(N(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])CO.Cl

InChI

InChI=1S/C14H16N4O5.ClH/c19-7-9-2-1-3-17(9)6-8-4-10(18(22)23)5-11-12(8)16-14(21)13(20)15-11;/h4-5,9,19H,1-3,6-7H2,(H,15,20)(H,16,21);1H