5-[[(4-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[(4-nitro-2-oxidanyl-phenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-hydroxy-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-hydroxy-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-hydroxy-4-nitroanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-hydroxy-4-nitro-anilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C11H8N4O5S MolecularWeight: 308.27002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])O)NC=C2C(=O)NC(=S)NC2=O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)NC=C2C(=O)NC(=S)NC2=O

InChI

InChI=1S/C11H8N4O5S/c16-8-3-5(15(19)20)1-2-7(8)12-4-6-9(17)13-11(21)14-10(6)18/h1-4,12,16H,(H2,13,14,17,18,21)