5-[[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[[(1,1-dioxo-3-thiolanyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[[(1,1-dioxothiolan-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[[(1,1-diketothiolan-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C13H14N4O6S MolecularWeight: 354.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6S/c18-12-13(19)16-11-7(3-9(17(20)21)4-10(11)15-12)5-14-8-1-2-24(22,23)6-8/h3-4,8,14H,1-2,5-6H2,(H,15,18)(H,16,19)