2-[5-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]-2-methoxy-phenyl]acetic acid Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC(=C(C=C2)OC)CC(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC(=C(C=C2)OC)CC(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H19ClN2O4/c1-14-18(22(23)25(24-14)17-6-4-3-5-7-17)9-10-19(26)15-8-11-20(29-2)16(12-15)13-21(27)28/h3-12H,13H2,1-2H3,(H,27,28)/b10-9+