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

Systemtic Name: 5-[[5-nitro-2,4-bis(oxidanyl)phenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,4-dihydroxy-5-nitro-phenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,4-dihydroxy-5-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2,4-dihydroxy-5-nitro-benzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H11N3O6S MolecularWeight: 385.35074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3O)O)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3O)O)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C17H11N3O6S/c21-13-8-14(22)12(20(25)26)7-9(13)6-11-15(23)18-17(27)19(16(11)24)10-4-2-1-3-5-10/h1-8,21-22H,(H,18,23,27)