(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S/c1-7-13-14-11(20-7)6-19-12(16)8-3-4-10(21-2)9(5-8)15(17)18/h3-5H,6H2,1-2H3