(E)-3-(2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(2,5-dimethyl-1-pyrimidin-2-yl-pyrrol-3-yl)prop-2-enoic acid CAS Name: (E)-3-[2,5-dimethyl-1-(2-pyrimidinyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-(2,5-dimethyl-1-pyrimidin-2-ylpyrrol-3-yl)prop-2-enoic acid Traditional Name: (E)-3-[2,5-dimethyl-1-(2-pyrimidyl)pyrrol-3-yl]acrylic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CC=N2)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CC=N2)C)/C=C/C(=O)O

InChI

InChI=1S/C13H13N3O2/c1-9-8-11(4-5-12(17)18)10(2)16(9)13-14-6-3-7-15-13/h3-8H,1-2H3,(H,17,18)/b5-4+