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

Systemtic Name: 5-[(2-butoxy-5-chloranyl-phenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-butoxy-5-chloro-phenyl)methylene]-1-(4-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-butoxy-5-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-butoxy-5-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-butoxy-5-chloro-benzylidene)-1-(4-nitrophenyl)barbituric acid Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c1-2-3-10-31-18-9-4-14(22)11-13(18)12-17-19(26)23-21(28)24(20(17)27)15-5-7-16(8-6-15)25(29)30/h4-9,11-12H,2-3,10H2,1H3,(H,23,26,28)