3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]isoxazole Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C15H16N2O5S/c1-9-14(10(2)22-16-9)7-23-6-12-4-13(17(18)19)3-11-5-20-8-21-15(11)12/h3-4H,5-8H2,1-2H3