(E)-3-[5-(3-iodanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(3-iodanylphenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(3-iodophenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(3-iodophenoxy)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(3-iodophenoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(3-iodophenoxy)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C14H13IN2O3 MolecularWeight: 384.16909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)OC2=CC(=CC=C2)I)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)OC2=CC(=CC=C2)I)C

InChI

InChI=1S/C14H13IN2O3/c1-9-12(6-7-13(18)19)14(17(2)16-9)20-11-5-3-4-10(15)8-11/h3-8H,1-2H3,(H,18,19)/b7-6+