2,6-ditert-butyl-4-[2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate Openeye Name: 2,6-ditert-butyl-4-[2-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate CAS Name: 2,6-ditert-butyl-4-[2-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-3H-benzimidazol-1-yl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate Traditional Name: 2,6-ditert-butyl-4-[2-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate Formula: C27H28N3O4- MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])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/p-1