[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] ester Formula: C18H13N3O7 MolecularWeight: 383.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[C@@H](C1=NN=C(O1)C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H13N3O7/c1-10(16-19-20-17(28-16)11-5-3-2-4-6-11)27-18(22)12-7-14-15(26-9-25-14)8-13(12)21(23)24/h2-8,10H,9H2,1H3/t10-/m0/s1