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

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

Isomeric SMILES

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

InChI

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