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

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C19H21NO4/c1-12-6-9-17(15(10-12)19(3,4)5)24-18(21)14-7-8-16(20(22)23)13(2)11-14/h6-11H,1-5H3