2-(1-adamantyl)ethyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 2-(1-adamantyl)ethyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 2-(1-adamantyl)ethyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 2-(1-adamantyl)ethyl ester Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H23NO5/c21-17-2-1-15(20(23)24)8-16(17)18(22)25-4-3-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-2,8,12-14,21H,3-7,9-11H2