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

Systemtic Name: 2-[(3-methoxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate Openeye Name: 2-[(3-methoxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(3-methoxy-1-adamantyl)oxy]ethyl ester IUPAC Name: 2-[(3-methoxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(3-methoxy-1-adamantyl)oxy]ethyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

COC12CC3CC(C1)CC(C3)(C2)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC12CC3CC(C1)CC(C3)(C2)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25NO6/c1-25-19-9-14-8-15(10-19)12-20(11-14,13-19)27-7-6-26-18(22)16-2-4-17(5-3-16)21(23)24/h2-5,14-15H,6-13H2,1H3