2,3-dinitrooxypropyl (2S)-2-(6-methoxy-5-nitro-naphthalen-2-yl)propanoate

Systemtic Name: 2,3-dinitrooxypropyl (2S)-2-(6-methoxy-5-nitro-naphthalen-2-yl)propanoate Openeye Name: 2,3-dinitrooxypropyl (2S)-2-(6-methoxy-5-nitro-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-5-nitro-2-naphthalenyl)propanoic acid 2,3-dinitrooxypropyl ester IUPAC Name: 2,3-dinitrooxypropyl (2S)-2-(6-methoxy-5-nitronaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-5-nitro-2-naphthyl)propionic acid 2,3-dinitrooxypropyl ester Formula: C17H17N3O11 MolecularWeight: 439.33038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O11/c1-10(17(21)29-8-13(31-20(26)27)9-30-19(24)25)11-3-5-14-12(7-11)4-6-15(28-2)16(14)18(22)23/h3-7,10,13H,8-9H2,1-2H3/t10-,13?/m0/s1