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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl adamantane-2-carboxylate Traditional Name: adamantane-2-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)C3C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C20H23NO6/c22-20(18-13-2-11-1-12(4-13)5-14(18)3-11)26-9-16-7-17(21(23)24)6-15-8-25-10-27-19(15)16/h6-7,11-14,18H,1-5,8-10H2