[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO5/c1-11-2-3-14(9-17(11)21(24)25)18(22)10-26-20(23)19-15-5-12-4-13(7-15)8-16(19)6-12/h2-3,9,12-13,15-16,19H,4-8,10H2,1H3