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

Systemtic Name: 3-[(4E)-4-[(5-chloranyl-3-methoxy-2-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(5-chloro-3-methoxy-2-propoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(5-chloro-3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(5-chloro-3-methoxy-2-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(5-chloro-3-methoxy-2-propoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)Cl)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)Cl)OC

InChI

InChI=1S/C22H21ClN2O5/c1-4-8-30-20-15(9-16(23)12-19(20)29-3)11-18-13(2)24-25(21(18)26)17-7-5-6-14(10-17)22(27)28/h5-7,9-12H,4,8H2,1-3H3,(H,27,28)/b18-11+