(E)-3-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(cyanomethylamino)-2-keto-ethoxy]-3-methoxy-phenyl]acrylic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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