(4-tert-butyl-2,6-dimethyl-phenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C)C(C)(C)C

InChI

InChI=1S/C22H25NO6/c1-13-8-15(22(3,4)5)9-14(2)17(13)12-29-21(24)16-10-19-20(28-7-6-27-19)11-18(16)23(25)26/h8-11H,6-7,12H2,1-5H3