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

Systemtic Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate nitrate Openeye Name: [6-(nitrooxymethyl)-2-pyridyl]methyl (2S)-2-(6-methoxy-2-naphthyl)propanoate nitrate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [6-(nitrooxymethyl)-2-pyridinyl]methyl ester nitrate IUPAC Name: [6-(nitrooxymethyl)pyridin-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate nitrate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [6-(nitrooxymethyl)-2-pyridyl]methyl ester nitrate Formula: C21H20N3O9- MolecularWeight: 458.3982

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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-].[N+](=O)([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-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C21H20N2O6.NO3/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;2-1(3)4/h3-11,14H,12-13H2,1-2H3;/q;-1/t14-;/m0./s1