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

Systemtic Name: 1-cyclohexyl-5-[(3-nitro-4-phenylmethoxy-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-benzyloxy-3-nitro-phenyl)methylene]-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-cyclohexyl-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-cyclohexyl-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-benzoxy-3-nitro-benzylidene)-1-cyclohexyl-barbituric acid Formula: C24H23N3O6 MolecularWeight: 449.45592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C24H23N3O6/c28-22-19(23(29)26(24(30)25-22)18-9-5-2-6-10-18)13-17-11-12-21(20(14-17)27(31)32)33-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,25,28,30)