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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyclopentylethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C1CCC(C1)CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H19NO6/c18-15(5-11-3-1-2-4-11)22-9-13-7-14(17(19)20)6-12-8-21-10-23-16(12)13/h6-7,11H,1-5,8-10H2