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

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-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 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H12ClN3O7S MolecularWeight: 437.81108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O7S/c1-29(25,26)14-7-4-11(8-13(14)21(23)24)17(22)27-9-15-19-20-16(28-15)10-2-5-12(18)6-3-10/h2-8H,9H2,1H3