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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2-nitrophenoxy)ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)COC2=CC=CC=C2[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)COC2=CC=CC=C2[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C21H25NO5/c1-14-10-16(21(3,4)5)11-15(2)17(14)12-27-20(23)13-26-19-9-7-6-8-18(19)22(24)25/h6-11H,12-13H2,1-5H3