(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-mesyl-acrylonitrile Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C)OCC#N

InChI

InChI=1S/C13H12N2O4S/c1-18-13-8-10(3-4-12(13)19-6-5-14)7-11(9-15)20(2,16)17/h3-4,7-8H,6H2,1-2H3/b11-7+