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

Systemtic Name: 1-cyclohexyl-5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)barbituric acid Formula: C19H21N3O7 MolecularWeight: 403.38594

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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)C3CCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C19H21N3O7/c1-2-29-15-10-11(9-14(16(15)23)22(27)28)8-13-17(24)20-19(26)21(18(13)25)12-6-4-3-5-7-12/h8-10,12,23H,2-7H2,1H3,(H,20,24,26)