(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-propan-2-ylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-propan-2-ylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H19NO6/c1-12(2)13-3-5-14(6-4-13)19(21)25-10-16-8-17(20(22)23)7-15-9-24-11-26-18(15)16/h3-8,12H,9-11H2,1-2H3