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

Systemtic Name: 2-[(3-oxidanyl-1-adamantyl)oxy]ethyl 4-nitrobenzoate Openeye Name: 2-[(3-hydroxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(3-hydroxy-1-adamantyl)oxy]ethyl ester IUPAC Name: 2-[(3-hydroxy-1-adamantyl)oxy]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(3-hydroxy-1-adamantyl)oxy]ethyl ester Formula: C19H23NO6 MolecularWeight: 361.38902

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)OCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H23NO6/c21-17(15-1-3-16(4-2-15)20(23)24)25-5-6-26-19-10-13-7-14(11-19)9-18(22,8-13)12-19/h1-4,13-14,22H,5-12H2