[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25NO5/c1-19(2,3)15-8-4-14(5-9-15)18(22)25-12-17(21)13-6-10-16(11-7-13)20(23)24/h6-7,10-11,14-15H,4-5,8-9,12H2,1-3H3