(4-tert-butylphenyl)methyl 3-methyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO4/c1-13-11-15(7-10-17(13)20(22)23)18(21)24-12-14-5-8-16(9-6-14)19(2,3)4/h5-11H,12H2,1-4H3