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

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H21N3O7/c1-3-11-29-17-10-7-15(12-18(17)28-4-2)21(25)30-13-19-22-23-20(31-19)14-5-8-16(9-6-14)24(26)27/h5-10,12H,3-4,11,13H2,1-2H3