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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl adamantane-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C20H23NO6/c22-19(20-6-12-1-13(7-20)3-14(2-12)8-20)26-10-16-5-17(21(23)24)4-15-9-25-11-27-18(15)16/h4-5,12-14H,1-3,6-11H2