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

Systemtic Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[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=CC=CC(=C1OCC(=O)NCC#N)C=CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC(=O)NCC#N)/C=C/C(=O)O

InChI

InChI=1S/C14H14N2O5/c1-20-11-4-2-3-10(5-6-13(18)19)14(11)21-9-12(17)16-8-7-15/h2-6H,8-9H2,1H3,(H,16,17)(H,18,19)/b6-5+