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

Systemtic Name: (E)-2-(4-methylphenyl)sulfonyl-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-nitrophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-nitro-phenyl)-2-tosyl-acrylonitrile Formula: C16H12N2O5S MolecularWeight: 344.34188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C16H12N2O5S/c1-11-2-5-13(6-3-11)24(22,23)14(10-17)8-12-4-7-16(19)15(9-12)18(20)21/h2-9,19H,1H3/b14-8+