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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1-adamantyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c23-19(9-21-6-13-1-14(7-21)3-15(2-13)8-21)27-11-17-5-18(22(24)25)4-16-10-26-12-28-20(16)17/h4-5,13-15H,1-3,6-12H2