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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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