(E)-3-[3-bromanyl-5-ethoxy-4-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-5-ethoxy-4-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-ethoxy-4-[2-(methylamino)-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-ethoxy-4-[2-(methylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-ethoxy-4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-5-ethoxy-4-[2-keto-2-(methylamino)ethoxy]phenyl]acrylic acid Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC(=O)NC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCC(=O)NC

InChI

InChI=1S/C14H16BrNO5/c1-3-20-11-7-9(4-5-13(18)19)6-10(15)14(11)21-8-12(17)16-2/h4-7H,3,8H2,1-2H3,(H,16,17)(H,18,19)/b5-4+