(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-13-10-17(21(4,5)6)11-14(2)18(13)12-26-20(23)16-7-8-19(22(24)25)15(3)9-16/h7-11H,12H2,1-6H3