[2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] ester IUPAC Name: [2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] ester Formula: C18H19N3O11 MolecularWeight: 453.35696

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O11/c1-12(13-3-4-15-8-16(29-2)6-5-14(15)7-13)17(22)30-9-18(19(23)24,10-31-20(25)26)11-32-21(27)28/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1