2-[(3-acetyloxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate

Systemtic Name: 2-[(3-acetyloxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate Openeye Name: 2-[(3-acetoxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(3-acetyloxy-1-adamantyl)oxy]ethyl ester IUPAC Name: 2-[(3-acetyloxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(3-acetoxy-1-adamantyl)oxy]ethyl ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3CC(C1)CC(C3)(C2)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC12CC3CC(C1)CC(C3)(C2)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO7/c1-14(23)29-21-11-15-8-16(12-21)10-20(9-15,13-21)28-7-6-27-19(24)17-2-4-18(5-3-17)22(25)26/h2-5,15-16H,6-13H2,1H3