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

Systemtic Name: 5-[(5-nitro-2-propoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-nitro-2-propoxy-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-nitro-2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-nitro-2-propoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-nitro-2-propoxy-benzylidene)barbituric acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

InChI

InChI=1S/C14H13N3O6/c1-2-5-23-11-4-3-9(17(21)22)6-8(11)7-10-12(18)15-14(20)16-13(10)19/h3-4,6-7H,2,5H2,1H3,(H2,15,16,18,19,20)