6-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride

Systemtic Name: 6-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride Openeye Name: 6-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride CAS Name: 6-[[2-(hydroxymethyl)-1-pyrrolidinyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride IUPAC Name: 6-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione chloride Traditional Name: 6-[(2-methylolpyrrolidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone chloride Formula: C14H16ClN4O5- MolecularWeight: 355.75364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3)CO.[Cl-]

Isomeric SMILES

C1CC(N(C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3)CO.[Cl-]

InChI

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