(6-nitro-1,3-benzodioxol-5-yl)methyl 4-tert-butylbenzoate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-tert-butylbenzoate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

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