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

Systemtic Name: 5-[(3-ethoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-ethoxy-2-hydroxy-5-nitro-phenyl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-ethoxy-2-hydroxy-5-nitro-benzylidene)-1-methyl-barbituric acid Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C)O

InChI

InChI=1S/C14H13N3O7/c1-3-24-10-6-8(17(22)23)4-7(11(10)18)5-9-12(19)15-14(21)16(2)13(9)20/h4-6,18H,3H2,1-2H3,(H,15,19,21)