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

Systemtic Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O7/c1-4-28-17-10-14(15(23(25)26)11-16(17)27-3)20(24)29-12(2)18-21-22-19(30-18)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3