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

Systemtic Name: (4-tert-butylphenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-tert-butylphenyl)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-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)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-butylbenzyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C20H21NO6/c1-20(2,3)14-6-4-13(5-7-14)12-27-19(22)15-10-17-18(26-9-8-25-17)11-16(15)21(23)24/h4-7,10-11H,8-9,12H2,1-3H3