(E)-3-(2-chloranyl-6-pyrazol-1-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-chloranyl-6-pyrazol-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-chloro-6-pyrazol-1-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[2-chloro-6-(1-pyrazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-chloro-6-pyrazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-chloro-6-pyrazol-1-yl-phenyl)acrylic acid Formula: C12H9ClN2O2 MolecularWeight: 248.66506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C=CC(=O)O)N2C=CC=N2

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)/C=C/C(=O)O)N2C=CC=N2

InChI

InChI=1S/C12H9ClN2O2/c13-10-3-1-4-11(15-8-2-7-14-15)9(10)5-6-12(16)17/h1-8H,(H,16,17)/b6-5+