piperidin-4-yl 2,2,6,6-tetraethyl-3,5-dimethyl-5-nitro-cyclohex-3-ene-1-carboxylate

Systemtic Name: piperidin-4-yl 2,2,6,6-tetraethyl-3,5-dimethyl-5-nitro-cyclohex-3-ene-1-carboxylate Openeye Name: 4-piperidyl 2,2,6,6-tetraethyl-3,5-dimethyl-5-nitro-cyclohex-3-ene-1-carboxylate CAS Name: 2,2,6,6-tetraethyl-3,5-dimethyl-5-nitro-1-cyclohex-3-enecarboxylic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 2,2,6,6-tetraethyl-3,5-dimethyl-5-nitrocyclohex-3-ene-1-carboxylate Traditional Name: 2,2,6,6-tetraethyl-3,5-dimethyl-5-nitro-cyclohex-3-ene-1-carboxylic acid 4-piperidyl ester Formula: C22H38N2O4 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C(C=C1C)(C)[N+](=O)[O-])(CC)CC)C(=O)OC2CCNCC2)CC

Isomeric SMILES

CCC1(C(C(C(C=C1C)(C)[N+](=O)[O-])(CC)CC)C(=O)OC2CCNCC2)CC

InChI

InChI=1S/C22H38N2O4/c1-7-21(8-2)16(5)15-20(6,24(26)27)22(9-3,10-4)18(21)19(25)28-17-11-13-23-14-12-17/h15,17-18,23H,7-14H2,1-6H3