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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-4-28-17-11-15(23(25)26)14(10-16(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