2-(5-nitroindazol-2-yl)-6-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol

Systemtic Name: 2-(5-nitroindazol-2-yl)-6-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol Openeye Name: 2-(5-nitroindazol-2-yl)-6-(1,1,3,3-tetramethylbutyl)benzene-1,4-diol CAS Name: 2-(5-nitro-2-indazolyl)-6-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol IUPAC Name: 2-(5-nitroindazol-2-yl)-6-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol Traditional Name: 2-(5-nitroindazol-2-yl)-6-(1,1,3,3-tetramethylbutyl)hydroquinone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=CC(=C1O)N2C=C3C=C(C=CC3=N2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=CC(=C1O)N2C=C3C=C(C=CC3=N2)[N+](=O)[O-])O

InChI

InChI=1S/C21H25N3O4/c1-20(2,3)12-21(4,5)16-9-15(25)10-18(19(16)26)23-11-13-8-14(24(27)28)6-7-17(13)22-23/h6-11,25-26H,12H2,1-5H3