[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitro-benzoate

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-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-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClN3O5/c1-10-3-2-4-13(21(23)24)15(10)17(22)25-9-14-19-20-16(26-14)11-5-7-12(18)8-6-11/h2-8H,9H2,1H3