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

Systemtic Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-chlorophenyl)-3-(methoxymethyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-cyanophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-chlorophenyl)-5-keto-3-(methoxymethyl)-2-pyrazolin-4-yl]methyl]-3-(4-cyanophenyl)acrylic acid Formula: C22H18ClN3O4 MolecularWeight: 423.84902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O4/c1-30-13-20-19(21(27)26(25-20)18-8-6-17(23)7-9-18)11-16(22(28)29)10-14-2-4-15(12-24)5-3-14/h2-10,19H,11,13H2,1H3,(H,28,29)