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

Systemtic Name: 5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-1-(4-isopropylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)-1-p-cumenyl-barbituric acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H21N3O7/c1-4-32-18-11-13(10-17(19(18)26)25(30)31)9-16-20(27)23-22(29)24(21(16)28)15-7-5-14(6-8-15)12(2)3/h5-12,26H,4H2,1-3H3,(H,23,27,29)