(E)-3-(5-bromanyl-4-methyl-pyridin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-bromanyl-4-methyl-pyridin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-bromo-4-methyl-3-pyridyl)prop-2-enoic acid CAS Name: (E)-3-(5-bromo-4-methyl-3-pyridinyl)-2-propenoic acid IUPAC Name: (E)-3-(5-bromo-4-methylpyridin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-bromo-4-methyl-3-pyridyl)acrylic acid Formula: C9H8BrNO2 MolecularWeight: 242.06932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1C=CC(=O)O)Br

Isomeric SMILES

CC1=C(C=NC=C1/C=C/C(=O)O)Br

InChI

InChI=1S/C9H8BrNO2/c1-6-7(2-3-9(12)13)4-11-5-8(6)10/h2-5H,1H3,(H,12,13)/b3-2+