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

Systemtic Name: 2-chloranyl-5-[4-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[4-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 2-chloro-5-[4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[4-(4-hydroxy-3-iodo-5-methoxy-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C19H14ClIN2O5 MolecularWeight: 512.68233

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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)Cl)C(=O)O)I)O

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClIN2O5/c1-9-12(5-10-6-15(21)17(24)16(7-10)28-2)18(25)23(22-9)11-3-4-14(20)13(8-11)19(26)27/h3-8,22,24H,1H2,2H3,(H,26,27)