1-(3-chloranyl-4-methyl-phenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-[(4-hydroxy-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-chloro-4-methylphenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-(4-hydroxy-3-nitro-benzylidene)barbituric acid Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O)Cl

InChI

InChI=1S/C18H12ClN3O6/c1-9-2-4-11(8-13(9)19)21-17(25)12(16(24)20-18(21)26)6-10-3-5-15(23)14(7-10)22(27)28/h2-8,23H,1H3,(H,20,24,26)