[6-(nitrooxymethyl)pyridin-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [6-(nitrooxymethyl)-2-pyridyl]methyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [6-(nitrooxymethyl)-2-pyridinyl]methyl ester IUPAC Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [6-(nitrooxymethyl)-2-pyridyl]methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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)OCC3=NC(=CC=C3)CO[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC3=NC(=CC=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-14(15-6-7-17-11-20(27-2)9-8-16(17)10-15)21(24)28-12-18-4-3-5-19(22-18)13-29-23(25)26/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1