5-[1-nitroso-2-oxidanyl-3-(oxidanylamino)inden-2-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[1-nitroso-2-oxidanyl-3-(oxidanylamino)inden-2-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[2-hydroxy-1-(hydroxyamino)-3-nitroso-inden-2-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[2-hydroxy-1-(hydroxyamino)-3-nitroso-2-indenyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[2-hydroxy-1-(hydroxyamino)-3-nitrosoinden-2-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[2-hydroxy-1-(hydroxyamino)-3-nitroso-inden-2-yl]barbituric acid Formula: C13H10N4O6 MolecularWeight: 318.2417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(C(=C2C=C1)N=O)(C3C(=O)NC(=O)NC3=O)O)NO

Isomeric SMILES

C1=CC2=C(C(C(=C2C=C1)N=O)(C3C(=O)NC(=O)NC3=O)O)NO

InChI

InChI=1S/C13H10N4O6/c18-10-7(11(19)15-12(20)14-10)13(21)8(16-22)5-3-1-2-4-6(5)9(13)17-23/h1-4,7,16,21-22H,(H2,14,15,18,19,20)