6-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5,6-dimethoxy-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-5,6-dimethoxy-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5,6-dimethoxy-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-5,6-dimethoxy-1H-benzimidazol-2-ylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-5,6-dimethoxy-1H-benzimidazol-2-ylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-5,6-dimethoxy-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C29H33N3O6 MolecularWeight: 519.58882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C3=CC(=C(C=C3NC2=C4C=C(C=CC4=O)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C3=CC(=C(C=C3NC2=C4C=C(C=CC4=O)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C29H33N3O6/c1-28(2,3)19-12-17(13-20(26(19)34)29(4,5)6)31-22-15-25(38-8)24(37-7)14-21(22)30-27(31)18-11-16(32(35)36)9-10-23(18)33/h9-15,30,34H,1-8H3