(E)-2-cyano-3-[4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[4-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-[2-(dimethylamino)-1-methyl-2-oxo-ethoxy]-3-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-[2-(dimethylamino)-2-keto-1-methyl-ethoxy]-3-ethoxy-phenyl]acrylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)O)OC(C)C(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)O)OC(C)C(=O)N(C)C

InChI

InChI=1S/C17H20N2O5/c1-5-23-15-9-12(8-13(10-18)17(21)22)6-7-14(15)24-11(2)16(20)19(3)4/h6-9,11H,5H2,1-4H3,(H,21,22)/b13-8+