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

Systemtic Name: (4-tert-butylphenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-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=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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