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

Systemtic Name: 2-chloranyl-5-[4-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)methylidene]-3-methylidene-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[4-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 2-chloro-5-[4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[4-(3-ethoxy-4-hydroxy-5-iodo-benzylidene)-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C20H16ClIN2O5 MolecularWeight: 526.70891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClIN2O5/c1-3-29-17-8-11(7-16(22)18(17)25)6-13-10(2)23-24(19(13)26)12-4-5-15(21)14(9-12)20(27)28/h4-9,23,25H,2-3H2,1H3,(H,27,28)