3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: 3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile Openeye Name: 3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-prop-2-enenitrile CAS Name: 3-(2,3-dimethoxyphenyl)-2-methylsulfonyl-2-propenenitrile IUPAC Name: 3-(2,3-dimethoxyphenyl)-2-methylsulfonylprop-2-enenitrile Traditional Name: 3-(2,3-dimethoxyphenyl)-2-mesyl-acrylonitrile Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=C(C#N)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1OC)C=C(C#N)S(=O)(=O)C

InChI

InChI=1S/C12H13NO4S/c1-16-11-6-4-5-9(12(11)17-2)7-10(8-13)18(3,14)15/h4-7H,1-3H3