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

Systemtic Name: 6-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-benzimidazol-2-ylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-benzimidazol-2-ylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-benzimidazol-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O4/c1-26(2,3)19-14-17(15-20(24(19)32)27(4,5)6)29-22-10-8-7-9-21(22)28-25(29)18-13-16(30(33)34)11-12-23(18)31/h7-15,28,32H,1-6H3