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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-oxidanylcyclohexane-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)O

InChI

InChI=1S/C16H19NO7/c18-15(16(19)4-2-1-3-5-16)23-9-12-7-13(17(20)21)6-11-8-22-10-24-14(11)12/h6-7,19H,1-5,8-10H2