(E)-3-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxy-5-nitrophenyl)-2-(4-chlorophenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxy-5-nitrophenyl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C19H17ClN2O5S MolecularWeight: 420.86668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5S/c1-19(2,3)16-9-12(10-17(18(16)23)22(24)25)8-15(11-21)28(26,27)14-6-4-13(20)5-7-14/h4-10,23H,1-3H3/b15-8+