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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl

InChI

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