(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-nitrobenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-nitrobenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C20H23NO4/c1-13-10-16(20(3,4)5)11-14(2)18(13)12-25-19(22)15-6-8-17(9-7-15)21(23)24/h6-11H,12H2,1-5H3