4-[[6-(3-chlorophenyl)-5-ethanoyl-2-ethyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(3-chlorophenyl)-5-ethanoyl-2-ethyl-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-acetyl-6-(3-chlorophenyl)-2-ethyl-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 4-[[5-acetyl-6-(3-chlorophenyl)-2-ethyl-3-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 4-[[5-acetyl-6-(3-chlorophenyl)-2-ethyl-3-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-acetyl-6-(3-chlorophenyl)-2-ethyl-3-keto-pyridazin-4-yl]amino]benzoic acid Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18ClN3O4/c1-3-25-20(27)19(23-16-9-7-13(8-10-16)21(28)29)17(12(2)26)18(24-25)14-5-4-6-15(22)11-14/h4-11,23H,3H2,1-2H3,(H,28,29)