5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-(4-isopropylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-1-p-cumenyl-barbituric acid Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-11(2)13-4-6-14(7-5-13)23-20(27)15(19(26)22-21(23)28)8-12-9-16(24(29)30)18(25)17(10-12)31-3/h4-11,25H,1-3H3,(H,22,26,28)