3-[4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionic acid Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3/c22-18-9-6-15(7-10-18)19(25)11-8-17-14-24(13-12-20(26)27)23-21(17)16-4-2-1-3-5-16/h1-11,14H,12-13H2,(H,26,27)/b11-8+