(E)-3-[4-bromanyl-2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(3,5-dimethyl-1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]acrylic acid Formula: C14H13BrN2O2 MolecularWeight: 321.16922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C=CC(=C2)Br)C=CC(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C=CC(=C2)Br)/C=C/C(=O)O)C

InChI

InChI=1S/C14H13BrN2O2/c1-9-7-10(2)17(16-9)13-8-12(15)5-3-11(13)4-6-14(18)19/h3-8H,1-2H3,(H,18,19)/b6-4+