2-chloranyl-5-[(4E)-4-[(3-methoxy-4-propanoyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4E)-4-[(3-methoxy-4-propanoyloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[(4E)-4-[(3-methoxy-4-propanoyloxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[(4E)-4-[[3-methoxy-4-(1-oxopropoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 2-chloro-5-[(4E)-4-[(3-methoxy-4-propanoyloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[(4E)-5-keto-4-(3-methoxy-4-propionyloxy-benzylidene)-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H19ClN2O6 MolecularWeight: 442.84906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC(=C(C=C3)Cl)C(=O)O)C)OC

InChI

InChI=1S/C22H19ClN2O6/c1-4-20(26)31-18-8-5-13(10-19(18)30-3)9-15-12(2)24-25(21(15)27)14-6-7-17(23)16(11-14)22(28)29/h5-11H,4H2,1-3H3,(H,28,29)/b15-9+