(5Z)-5-[[3,4-bis(oxidanyl)phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione hydrate

Systemtic Name: (5Z)-5-[[3,4-bis(oxidanyl)phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione hydrate Openeye Name: (5Z)-5-[(3,4-dihydroxyphenyl)methylene]-1-phenyl-hexahydropyrimidine-2,4,6-trione hydrate CAS Name: (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione hydrate IUPAC Name: (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione hydrate Traditional Name: (5Z)-5-(3,4-dihydroxybenzylidene)-1-phenyl-barbituric acid hydrate Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)O)C(=O)NC2=O.O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)NC2=O.O

InChI

InChI=1S/C17H12N2O5.H2O/c20-13-7-6-10(9-14(13)21)8-12-15(22)18-17(24)19(16(12)23)11-4-2-1-3-5-11;/h1-9,20-21H,(H,18,22,24);1H2/b12-8-;