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

Systemtic Name: 1-cyclohexyl-5-[[5-(2-methyl-5-nitro-phenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[5-(2-methyl-5-nitrophenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methylene]barbituric acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C22H21N3O6/c1-13-7-8-15(25(29)30)11-17(13)19-10-9-16(31-19)12-18-20(26)23-22(28)24(21(18)27)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,23,26,28)