2-(1-adamantyl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(1-adamantyl)ethyl 4-nitrobenzoate Openeye Name: 2-(1-adamantyl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(1-adamantyl)ethyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4/c21-18(16-1-3-17(4-2-16)20(22)23)24-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2