4-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]iminopentan-2-one

Systemtic Name: 4-[(1S,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]iminopentan-2-one Openeye Name: 4-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]iminopentan-2-one CAS Name: 4-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]imino-2-pentanone IUPAC Name: 4-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]iminopentan-2-one Traditional Name: 4-[(1R,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]iminopentan-2-one Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-9(7-10(2)18)15-13(8-17)14(19)11-3-5-12(6-4-11)16(20)21/h3-6,13-14,17,19H,7-8H2,1-2H3/t13-,14+/m1/s1