(2-methyl-2-nitro-3-oxidanyl-propyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: (2-methyl-2-nitro-3-oxidanyl-propyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: (3-hydroxy-2-methyl-2-nitro-propyl) (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid (3-hydroxy-2-methyl-2-nitropropyl) ester IUPAC Name: (3-hydroxy-2-methyl-2-nitropropyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid (3-hydroxy-2-methyl-2-nitro-propyl) ester Formula: C18H21NO6 MolecularWeight: 347.36244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(C)(CO)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(C)(CO)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO6/c1-12(17(21)25-11-18(2,10-20)19(22)23)13-4-5-15-9-16(24-3)7-6-14(15)8-13/h4-9,12,20H,10-11H2,1-3H3/t12-,18?/m0/s1