(E)-2-(cyanomethyl)-3-(4-methoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(cyanomethyl)-3-(4-methoxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-(cyanomethyl)-3-(4-methoxyphenyl)prop-2-enoic acid CAS Name: (E)-2-(cyanomethyl)-3-(4-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(cyanomethyl)-3-(4-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(cyanomethyl)-3-(4-methoxyphenyl)acrylic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-16-11-4-2-9(3-5-11)8-10(6-7-13)12(14)15/h2-5,8H,6H2,1H3,(H,14,15)/b10-8+