1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-ethoxy-4-propoxy-benzoate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-ethoxy-4-propoxy-benzoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H23N3O7/c1-4-12-30-18-11-8-16(13-19(18)29-5-2)22(26)31-14(3)20-23-24-21(32-20)15-6-9-17(10-7-15)25(27)28/h6-11,13-14H,4-5,12H2,1-3H3