(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C)C(C)(C)C

InChI

InChI=1S/C22H27NO6/c1-13-8-15(22(3,4)5)9-14(2)17(13)12-29-21(24)16-10-19(27-6)20(28-7)11-18(16)23(25)26/h8-11H,12H2,1-7H3