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

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

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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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-4-31-17-10-13(9-16(18(17)25)24(29)30)8-14-19(26)22-21(28)23(20(14)27)15-7-11(2)5-6-12(15)3/h5-10,25H,4H2,1-3H3,(H,22,26,28)