(E)-2-acetamido-3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-bromo-4,5-dimethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-bromo-4,5-dimethoxy-phenyl)acrylic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC(=C(C(=C1)Br)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C(=C1)Br)OC)OC)/C(=O)O

InChI

InChI=1S/C13H14BrNO5/c1-7(16)15-10(13(17)18)5-8-4-9(14)12(20-3)11(6-8)19-2/h4-6H,1-3H3,(H,15,16)(H,17,18)/b10-5+