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

Systemtic Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodanyl-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-cyclohexyl-5-[3-ethoxy-5-iodo-4-(3-nitrobenzyl)oxy-benzylidene]barbituric acid Formula: C26H26IN3O7 MolecularWeight: 619.40501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3CCCCC3)I)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26IN3O7/c1-2-36-22-14-17(13-21(27)23(22)37-15-16-7-6-10-19(11-16)30(34)35)12-20-24(31)28-26(33)29(25(20)32)18-8-4-3-5-9-18/h6-7,10-14,18H,2-5,8-9,15H2,1H3,(H,28,31,33)