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

Systemtic Name: 5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[[2-(hydroxymethyl)-1-piperidyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[[2-(hydroxymethyl)-1-piperidinyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(2-methylolpiperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C15H18N4O5 MolecularWeight: 334.32722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CO)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5/c20-8-10-3-1-2-4-18(10)7-9-5-11(19(23)24)6-12-13(9)17-15(22)14(21)16-12/h5-6,10,20H,1-4,7-8H2,(H,16,21)(H,17,22)