(E)-3-[2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxoethoxy]-5-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxoethoxy]-5-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[2-(cyanomethylamino)-2-keto-ethoxy]-5-methoxy-phenyl]acrylic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5/c1-20-11-3-4-12(10(8-11)2-5-14(18)19)21-9-13(17)16-7-6-15/h2-5,8H,7,9H2,1H3,(H,16,17)(H,18,19)/b5-2+