(E)-3-[6-(4-methylphenyl)carbonylpyridin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-(4-methylphenyl)carbonylpyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(4-methylbenzoyl)-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[(4-methylphenyl)-oxomethyl]-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-(4-methylbenzoyl)pyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-(6-p-toluoyl-2-pyridyl)acrylic acid Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC(=N2)C=CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC(=N2)/C=C/C(=O)O

InChI

InChI=1S/C16H13NO3/c1-11-5-7-12(8-6-11)16(20)14-4-2-3-13(17-14)9-10-15(18)19/h2-10H,1H3,(H,18,19)/b10-9+