5-[[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[5-(4-chloro-3-nitro-phenyl)-2-furyl]methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-1-cyclohexyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[5-(4-chloro-3-nitro-phenyl)-2-furyl]methylene]-1-cyclohexyl-barbituric acid Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C21H18ClN3O6/c22-16-8-6-12(10-17(16)25(29)30)18-9-7-14(31-18)11-15-19(26)23-21(28)24(20(15)27)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,23,26,28)