(3Z)-3-[2-(3-chlorophenyl)-1H-pyrazol-3-ylidene]-5-oxidanyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-[2-(3-chlorophenyl)-1H-pyrazol-3-ylidene]-5-oxidanyl-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3Z)-3-[2-(3-chlorophenyl)-1H-pyrazol-3-ylidene]-5-hydroxy-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3Z)-3-[2-(3-chlorophenyl)-1H-pyrazol-3-ylidene]-5-hydroxy-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3Z)-3-[2-(3-chlorophenyl)-1H-pyrazol-3-ylidene]-5-hydroxy-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3Z)-3-[2-(3-chlorophenyl)-3-pyrazolin-3-ylidene]-5-hydroxy-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C16H11ClN2O4 MolecularWeight: 330.72254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=C3C=C(C(=O)C(=C3)O)C(=O)O)C=CN2

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2/C(=C\3/C=C(C(=O)C(=C3)O)C(=O)O)/C=CN2

InChI

InChI=1S/C16H11ClN2O4/c17-10-2-1-3-11(8-10)19-13(4-5-18-19)9-6-12(16(22)23)15(21)14(20)7-9/h1-8,18,20H,(H,22,23)/b13-9-