(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=CC=C3)OC

InChI

InChI=1S/C19H17N3O7/c1-3-27-16-10-14(22(24)25)13(9-15(16)26-2)19(23)28-11-17-20-21-18(29-17)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3