2-[4-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-ethoxy-phenoxy]acetic acid Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)OCC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)OCC(=O)O

InChI

InChI=1S/C21H19ClN2O5/c1-3-28-19-11-14(4-9-18(19)29-12-20(25)26)10-17-13(2)23-24(21(17)27)16-7-5-15(22)6-8-16/h4-11H,3,12H2,1-2H3,(H,25,26)