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

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-methoxy-4-[2-(methylamino)-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-methoxy-4-[2-(methylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-[2-keto-2-(methylamino)ethoxy]-5-methoxy-phenyl]acrylic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=C(C=C1Br)C=CC(=O)O)OC

Isomeric SMILES

CNC(=O)COC1=C(C=C(C=C1Br)/C=C/C(=O)O)OC

InChI

InChI=1S/C13H14BrNO5/c1-15-11(16)7-20-13-9(14)5-8(3-4-12(17)18)6-10(13)19-2/h3-6H,7H2,1-2H3,(H,15,16)(H,17,18)/b4-3+