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

Systemtic Name: 5-[(4-butoxy-3-methoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-butoxy-3-methoxy-phenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-butoxy-3-methoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-butoxy-3-methoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-butoxy-3-methoxy-benzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N3O7/c1-3-4-10-32-18-9-8-14(12-19(18)31-2)11-17-20(26)23-22(28)24(21(17)27)15-6-5-7-16(13-15)25(29)30/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,26,28)