[(2S,5R)-2-methyl-3-methylidene-5-(4-nitrophenyl)-5-oxidanyl-pentyl] ethanoate

Systemtic Name: [(2S,5R)-2-methyl-3-methylidene-5-(4-nitrophenyl)-5-oxidanyl-pentyl] ethanoate Openeye Name: [(2S,5R)-5-hydroxy-2-methyl-3-methylene-5-(4-nitrophenyl)pentyl] acetate CAS Name: acetic acid [(2S,5R)-5-hydroxy-2-methyl-3-methylene-5-(4-nitrophenyl)pentyl] ester IUPAC Name: [(2S,5R)-5-hydroxy-2-methyl-3-methylidene-5-(4-nitrophenyl)pentyl] acetate Traditional Name: acetic acid [(2S)-3-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methyl-but-3-enyl] ester Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-10(11(2)9-21-12(3)17)8-15(18)13-4-6-14(7-5-13)16(19)20/h4-7,11,15,18H,1,8-9H2,2-3H3/t11-,15-/m1/s1