[3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] 4-nitrobenzoate

Systemtic Name: [3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] 4-nitrobenzoate Openeye Name: [3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(4-tert-butylphenyl)-2,2-dimethylpropyl] ester IUPAC Name: [3-(4-tert-butylphenyl)-2,2-dimethylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(4-tert-butylphenyl)-2,2-dimethyl-propyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(C)(C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(C)(C)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO4/c1-21(2,3)18-10-6-16(7-11-18)14-22(4,5)15-27-20(24)17-8-12-19(13-9-17)23(25)26/h6-13H,14-15H2,1-5H3