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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-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=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2C)C(C)(C)C)C)[N+](=O)[O-]

InChI

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