5-methyl-3-[[[3-(nitrooxymethyl)phenyl]carbonylamino]methyl]hexanoic acid

Systemtic Name: 5-methyl-3-[[[3-(nitrooxymethyl)phenyl]carbonylamino]methyl]hexanoic acid Openeye Name: 5-methyl-3-[[[3-(nitrooxymethyl)benzoyl]amino]methyl]hexanoic acid CAS Name: 5-methyl-3-[[[[3-(nitrooxymethyl)phenyl]-oxomethyl]amino]methyl]hexanoic acid IUPAC Name: 5-methyl-3-[[[3-(nitrooxymethyl)benzoyl]amino]methyl]hexanoic acid Traditional Name: 5-methyl-3-[[[3-(nitrooxymethyl)benzoyl]amino]methyl]hexanoic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-11(2)6-13(8-15(19)20)9-17-16(21)14-5-3-4-12(7-14)10-24-18(22)23/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,17,21)(H,19,20)