[(1R,2R)-2-nitrooxycyclohexyl] (2R)-3-methyl-2-oxidanyl-2-phenyl-butanoate

Systemtic Name: [(1R,2R)-2-nitrooxycyclohexyl] (2R)-3-methyl-2-oxidanyl-2-phenyl-butanoate Openeye Name: [(1R,2R)-2-nitrooxycyclohexyl] (2R)-2-hydroxy-3-methyl-2-phenyl-butanoate CAS Name: (2R)-2-hydroxy-3-methyl-2-phenylbutanoic acid [(1R,2R)-2-nitrooxycyclohexyl] ester IUPAC Name: [(1R,2R)-2-nitrooxycyclohexyl] (2R)-2-hydroxy-3-methyl-2-phenylbutanoate Traditional Name: (2R)-2-hydroxy-3-methyl-2-phenyl-butyric acid [(1R,2R)-2-nitrooxycyclohexyl] ester Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OC2CCCCC2O[N+](=O)[O-])O

Isomeric SMILES

CC(C)[C@@](C1=CC=CC=C1)(C(=O)O[C@@H]2CCCC[C@H]2O[N+](=O)[O-])O

InChI

InChI=1S/C17H23NO6/c1-12(2)17(20,13-8-4-3-5-9-13)16(19)23-14-10-6-7-11-15(14)24-18(21)22/h3-5,8-9,12,14-15,20H,6-7,10-11H2,1-2H3/t14-,15-,17-/m1/s1