[(1R)-1-cyano-4-[4-[(1R)-2-nitro-1-oxidanyl-ethyl]phenyl]butyl] ethyl carbonate

Systemtic Name: [(1R)-1-cyano-4-[4-[(1R)-2-nitro-1-oxidanyl-ethyl]phenyl]butyl] ethyl carbonate Openeye Name: [(1R)-1-cyano-4-[4-[(1R)-1-hydroxy-2-nitro-ethyl]phenyl]butyl] ethyl carbonate CAS Name: carbonic acid [(1R)-1-cyano-4-[4-[(1R)-1-hydroxy-2-nitroethyl]phenyl]butyl] ethyl ester IUPAC Name: [(1R)-1-cyano-4-[4-[(1R)-1-hydroxy-2-nitroethyl]phenyl]butyl] ethyl carbonate Traditional Name: carbonic acid [(1R)-1-cyano-4-[4-[(1R)-1-hydroxy-2-nitro-ethyl]phenyl]butyl] ethyl ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(CCCC1=CC=C(C=C1)C(C[N+](=O)[O-])O)C#N

Isomeric SMILES

CCOC(=O)O[C@H](CCCC1=CC=C(C=C1)[C@H](C[N+](=O)[O-])O)C#N

InChI

InChI=1S/C16H20N2O6/c1-2-23-16(20)24-14(10-17)5-3-4-12-6-8-13(9-7-12)15(19)11-18(21)22/h6-9,14-15,19H,2-5,11H2,1H3/t14-,15+/m1/s1