2-[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-2-nitro-phenyl]sulfanylethanol

Systemtic Name: 2-[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-2-nitro-phenyl]sulfanylethanol Openeye Name: 2-[4-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]-2-nitro-phenyl]sulfanylethanol CAS Name: 2-[[4-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]-2-nitrophenyl]thio]ethanol IUPAC Name: 2-[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-2-nitrophenyl]sulfanylethanol Traditional Name: 2-[[4-[2-(3-methyl-4-nitro-isoxazol-5-yl)vinyl]-2-nitro-phenyl]thio]ethanol Formula: C14H13N3O6S MolecularWeight: 351.33452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC(=C(C=C2)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6S/c1-9-14(17(21)22)12(23-15-9)4-2-10-3-5-13(24-7-6-18)11(8-10)16(19)20/h2-5,8,18H,6-7H2,1H3