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

Systemtic Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(2,4-dinitrophenoxy)-3-methoxy-benzylidene]barbituric acid Formula: C18H12N4O9 MolecularWeight: 428.30928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O9/c1-30-15-7-9(6-11-16(23)19-18(25)20-17(11)24)2-4-14(15)31-13-5-3-10(21(26)27)8-12(13)22(28)29/h2-8H,1H3,(H2,19,20,23,24,25)