(E)-2-methylsulfonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-methylsulfonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-mesyl-acrylonitrile Formula: C10H8N2O5S MolecularWeight: 268.24592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CC(=C(C=C1)O)[N+](=O)[O-])C#N

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CC(=C(C=C1)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C10H8N2O5S/c1-18(16,17)8(6-11)4-7-2-3-10(13)9(5-7)12(14)15/h2-5,13H,1H3/b8-4+