5-methyl-3-[[[2-(nitrooxymethyl)phenyl]carbonyloxymethoxycarbonylamino]methyl]hexanoic acid

Systemtic Name: 5-methyl-3-[[[2-(nitrooxymethyl)phenyl]carbonyloxymethoxycarbonylamino]methyl]hexanoic acid Openeye Name: 5-methyl-3-[[[2-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]hexanoic acid CAS Name: 5-methyl-3-[[[[[2-(nitrooxymethyl)phenyl]-oxomethoxy]methoxy-oxomethyl]amino]methyl]hexanoic acid IUPAC Name: 5-methyl-3-[[[2-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]hexanoic acid Traditional Name: 5-methyl-3-[[[2-(nitrooxymethyl)benzoyl]oxymethoxycarbonylamino]methyl]hexanoic acid Formula: C18H24N2O9 MolecularWeight: 412.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)OCOC(=O)C1=CC=CC=C1CO[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(CC(=O)O)CNC(=O)OCOC(=O)C1=CC=CC=C1CO[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O9/c1-12(2)7-13(8-16(21)22)9-19-18(24)28-11-27-17(23)15-6-4-3-5-14(15)10-29-20(25)26/h3-6,12-13H,7-11H2,1-2H3,(H,19,24)(H,21,22)