1,3-dimethyl-8-[2-(5-nitro-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)hydrazinyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-(5-nitro-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl)hydrazinyl]-7H-purine-2,6-dione Openeye Name: 8-[2-(3-hydroxy-5-nitro-2-oxo-indolin-3-yl)hydrazino]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)hydrazo]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[N'-(3-hydroxy-2-keto-5-nitro-indolin-3-yl)hydrazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H14N8O6 MolecularWeight: 402.32166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NNC3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NNC3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O

InChI

InChI=1S/C15H14N8O6/c1-21-10-9(11(24)22(2)14(21)26)17-13(18-10)19-20-15(27)7-5-6(23(28)29)3-4-8(7)16-12(15)25/h3-5,20,27H,1-2H3,(H,16,25)(H2,17,18,19)