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

Systemtic Name: (E)-3-[5-bromanyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[2-(methylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[2-keto-2-(methylamino)ethoxy]phenyl]acrylic acid Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=C(C=C1)Br)C=CC(=O)O

Isomeric SMILES

CNC(=O)COC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C12H12BrNO4/c1-14-11(15)7-18-10-4-3-9(13)6-8(10)2-5-12(16)17/h2-6H,7H2,1H3,(H,14,15)(H,16,17)/b5-2+