2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-2-[[1-(4-chlorophenyl)-5-keto-3-(methoxymethyl)-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C23H21ClN2O6 MolecularWeight: 456.87564

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O6/c1-31-13-20-19(21(27)26(25-20)18-9-7-17(24)8-10-18)12-16(22(28)29)11-14-3-5-15(6-4-14)23(30)32-2/h3-11,19H,12-13H2,1-2H3,(H,28,29)