[2-(hydroxymethyl)-2-nitro-3-oxidanyl-propyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-(hydroxymethyl)-2-nitro-3-oxidanyl-propyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-nitro-propyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [3-hydroxy-2-(hydroxymethyl)-2-nitropropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-nitropropyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid (3-hydroxy-2-methylol-2-nitro-propyl) ester Formula: C18H21NO7 MolecularWeight: 363.36184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO7/c1-12(17(22)26-11-18(9-20,10-21)19(23)24)13-3-4-15-8-16(25-2)6-5-14(15)7-13/h3-8,12,20-21H,9-11H2,1-2H3/t12-/m0/s1