(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,3-dimethylbutanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,3-dimethylbutanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

Isomeric SMILES

CC(C)(C)CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2

InChI

InChI=1S/C15H19NO6/c1-15(2,3)6-13(17)21-8-11-5-12(16(18)19)4-10-7-20-9-22-14(10)11/h4-5H,6-9H2,1-3H3