(E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-mesyl-acrylonitrile Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C(\C#N)/S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-20(2,3)15-6-8-16(9-7-15)27-19-10-5-14(12-18(19)22(23)24)11-17(13-21)28(4,25)26/h5-12H,1-4H3/b17-11+