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

Systemtic Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-nitro-benzoate Openeye Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O6/c1-25-14-7-6-10(8-13(14)21(23)24)17(22)26-9-15-19-16(20-27-15)11-4-2-3-5-12(11)18/h2-8H,9H2,1H3