3-[(4Z)-4-[(5-chloranyl-2-ethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(5-chloranyl-2-ethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(5-chloro-2-ethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(5-chloro-2-ethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(5-chloro-2-ethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(5-chloro-2-ethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C20H17ClN2O4/c1-3-27-18-8-7-15(21)9-14(18)11-17-12(2)22-23(19(17)24)16-6-4-5-13(10-16)20(25)26/h4-11H,3H2,1-2H3,(H,25,26)/b17-11-