3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid

Systemtic Name: 3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid Openeye Name: 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoic acid CAS Name: 3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid IUPAC Name: 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid Traditional Name: 3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid Formula: C13H11ClN2O2 MolecularWeight: 262.69164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)O)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C13H11ClN2O2/c1-9-11(7-8-12(17)18)13(14)16(15-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,17,18)