(3-nitrooxy-2-oxidanyl-propyl) 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: (3-nitrooxy-2-oxidanyl-propyl) 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: (2-hydroxy-3-nitrooxy-propyl) 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid (2-hydroxy-3-nitrooxypropyl) ester IUPAC Name: (2-hydroxy-3-nitrooxypropyl) 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid (2-hydroxy-3-nitrooxy-propyl) ester Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(CO[N+](=O)[O-])O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(CO[N+](=O)[O-])O

InChI

InChI=1S/C16H23NO6/c1-11(2)8-13-4-6-14(7-5-13)12(3)16(19)22-9-15(18)10-23-17(20)21/h4-7,11-12,15,18H,8-10H2,1-3H3