[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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