3-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)-3-oxidanylidene-propanal

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)-3-oxidanylidene-propanal Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)-3-oxo-propanal CAS Name: 3-(4-methylsulfonyl-2-nitrophenyl)-2-(1,2,4-oxadiazol-5-yl)-3-oxopropanal IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)-2-(1,2,4-oxadiazol-5-yl)-3-oxopropanal Traditional Name: 3-keto-3-(4-mesyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)propionaldehyde Formula: C12H9N3O7S MolecularWeight: 339.28076

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C=O)C2=NC=NO2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C=O)C2=NC=NO2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O7S/c1-23(20,21)7-2-3-8(10(4-7)15(18)19)11(17)9(5-16)12-13-6-14-22-12/h2-6,9H,1H3