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

Systemtic Name: 1-cyclohexyl-5-[[5-(4-methyl-3-nitro-phenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[5-(4-methyl-3-nitro-phenyl)-2-furyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[5-(4-methyl-3-nitrophenyl)-2-furanyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[[5-(4-methyl-3-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)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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