(6E)-2,4-ditert-butyl-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-2,4-ditert-butyl-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-2,4-ditert-butyl-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one CAS Name: (6E)-2,4-ditert-butyl-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-2,4-ditert-butyl-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Traditional Name: (6E)-2,4-ditert-butyl-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)[N+](=O)[O-])/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C21H25N3O3/c1-20(2,3)12-9-14(18(25)15(10-12)21(4,5)6)19-22-16-8-7-13(24(26)27)11-17(16)23-19/h7-11,22-23H,1-6H3/b19-14+