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

Systemtic Name: 1-cyclohexyl-5-[[3-iodanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[3-iodo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[3-iodo-5-methoxy-4-(3-nitrobenzyl)oxy-benzylidene]barbituric acid Formula: C25H24IN3O7 MolecularWeight: 605.37843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24IN3O7/c1-35-21-13-16(12-20(26)22(21)36-14-15-6-5-9-18(10-15)29(33)34)11-19-23(30)27-25(32)28(24(19)31)17-7-3-2-4-8-17/h5-6,9-13,17H,2-4,7-8,14H2,1H3,(H,27,30,32)