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

Systemtic Name: piperidin-4-yl 2,2,3,5,6,6-hexaethyl-5-nitro-cyclohex-3-ene-1-carboxylate Openeye Name: 4-piperidyl 2,2,3,5,6,6-hexaethyl-5-nitro-cyclohex-3-ene-1-carboxylate CAS Name: 2,2,3,5,6,6-hexaethyl-5-nitro-1-cyclohex-3-enecarboxylic acid 4-piperidinyl ester IUPAC Name: piperidin-4-yl 2,2,3,5,6,6-hexaethyl-5-nitrocyclohex-3-ene-1-carboxylate Traditional Name: 2,2,3,5,6,6-hexaethyl-5-nitro-cyclohex-3-ene-1-carboxylic acid 4-piperidyl ester Formula: C24H42N2O4 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(C(C(C1(CC)CC)C(=O)OC2CCNCC2)(CC)CC)(CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(C(C(C1(CC)CC)C(=O)OC2CCNCC2)(CC)CC)(CC)[N+](=O)[O-]

InChI

InChI=1S/C24H42N2O4/c1-7-18-17-24(12-6,26(28)29)23(10-4,11-5)20(22(18,8-2)9-3)21(27)30-19-13-15-25-16-14-19/h17,19-20,25H,7-16H2,1-6H3