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

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O6/c1-2-26-15-8-5-12(9-14(15)22(24)25)18(23)27-10-16-20-17(21-28-16)11-3-6-13(19)7-4-11/h3-9H,2,10H2,1H3