[(2S,3S)-2,3-dinitrooxybutyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [(2S,3S)-2,3-dinitrooxybutyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [(2S,3S)-2,3-dinitrooxybutyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [(2S,3S)-2,3-dinitrooxybutyl] ester IUPAC Name: [(2S,3S)-2,3-dinitrooxybutyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [(2S,3S)-2,3-dinitrooxybutyl] ester Formula: C18H20N2O9 MolecularWeight: 408.3594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O9/c1-11(13-4-5-15-9-16(26-3)7-6-14(15)8-13)18(21)27-10-17(29-20(24)25)12(2)28-19(22)23/h4-9,11-12,17H,10H2,1-3H3/t11-,12-,17-/m0/s1