[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O5/c1-20(2,3)16-10-9-15(11-17(16)22(25)26)19(24)27-13-18(23)21-12-14-7-5-4-6-8-14/h9-11,14H,4-8,12-13H2,1-3H3,(H,21,23)