4-[(4Z)-4-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-(3-chloro-4-hydroxy-5-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=C)NN(C2=O)C3=CC=C(C=C3)C(=O)O)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=C)NN(C2=O)C3=CC=C(C=C3)C(=O)O)Cl)O

InChI

InChI=1S/C19H15ClN2O5/c1-10-14(7-11-8-15(20)17(23)16(9-11)27-2)18(24)22(21-10)13-5-3-12(4-6-13)19(25)26/h3-9,21,23H,1H2,2H3,(H,25,26)/b14-7-