(3S,4R)-3-[(2-nitrophenyl)methyl]-3-oxidanyl-4-pentyl-oxolan-2-one

Systemtic Name: (3S,4R)-3-[(2-nitrophenyl)methyl]-3-oxidanyl-4-pentyl-oxolan-2-one Openeye Name: (3S,4R)-3-hydroxy-3-[(2-nitrophenyl)methyl]-4-pentyl-tetrahydrofuran-2-one CAS Name: (3S,4R)-3-hydroxy-3-[(2-nitrophenyl)methyl]-4-pentyl-2-oxolanone IUPAC Name: (3S,4R)-3-hydroxy-3-[(2-nitrophenyl)methyl]-4-pentyloxolan-2-one Traditional Name: (3S,4R)-4-amyl-3-hydroxy-3-(2-nitrobenzyl)tetrahydrofuran-2-one Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(=O)C1(CC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CCCCC[C@@H]1COC(=O)[C@@]1(CC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C16H21NO5/c1-2-3-4-8-13-11-22-15(18)16(13,19)10-12-7-5-6-9-14(12)17(20)21/h5-7,9,13,19H,2-4,8,10-11H2,1H3/t13-,16+/m1/s1