[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCC(CC2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCC(CC2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27NO5/c1-13-5-6-15(11-17(13)21(24)25)18(22)12-26-19(23)14-7-9-16(10-8-14)20(2,3)4/h5-6,11,14,16H,7-10,12H2,1-4H3