N-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]hexanamide

Systemtic Name: N-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]hexanamide Openeye Name: N-[(1S,2S)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]hexanamide CAS Name: N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]hexanamide IUPAC Name: N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]hexanamide Traditional Name: N-[(1S,2S)-2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]hexanamide Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-2-3-4-5-14(19)16-13(10-18)15(20)11-6-8-12(9-7-11)17(21)22/h6-9,13,15,18,20H,2-5,10H2,1H3,(H,16,19)/t13-,15-/m0/s1