(4-nitrophenyl)methyl 2,2-dicyclohexyl-2-oxidanyl-ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2,2-dicyclohexyl-2-oxidanyl-ethanoate Openeye Name: (4-nitrophenyl)methyl 2,2-dicyclohexyl-2-hydroxy-acetate CAS Name: 2,2-dicyclohexyl-2-hydroxyacetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2,2-dicyclohexyl-2-hydroxyacetate Traditional Name: 2,2-dicyclohexyl-2-hydroxy-acetic acid (4-nitrobenzyl) ester Formula: C21H29NO5 MolecularWeight: 375.45866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H29NO5/c23-20(27-15-16-11-13-19(14-12-16)22(25)26)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18,24H,1-10,15H2