(4-tert-butylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-tert-butylbenzyl) ester Formula: C19H19NO6 MolecularWeight: 357.35726

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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-])OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H19NO6/c1-19(2,3)13-6-4-12(5-7-13)10-24-18(21)14-8-16-17(26-11-25-16)9-15(14)20(22)23/h4-9H,10-11H2,1-3H3