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

Systemtic Name: 3-[4-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[(3-chloro-5-ethoxy-4-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[4-(3-chloro-5-ethoxy-4-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic 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=CC(=C3)C(=O)O)C)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-4-29-18-10-13(9-17(22)19(18)28-3)8-16-12(2)23-24(20(16)25)15-7-5-6-14(11-15)21(26)27/h5-11H,4H2,1-3H3,(H,26,27)