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

Systemtic Name: (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid Formula: C8H9ClN2O2 MolecularWeight: 200.62226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O)Cl)C

InChI

InChI=1S/C8H9ClN2O2/c1-5-6(3-4-7(12)13)8(9)11(2)10-5/h3-4H,1-2H3,(H,12,13)/b4-3+