[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5/c21-17(19-8-12-4-13(9-19)6-14(5-12)10-19)11-25-18(22)15-2-1-3-16(7-15)20(23)24/h1-3,7,12-14H,4-6,8-11H2