2-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydrobenzofuran-5-yl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydrobenzofuran-5-yl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-6-coumaran-5-yl-3-keto-pyridazine-4-carboxylic acid Formula: C20H15ClN2O4 MolecularWeight: 382.7971

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=NN(C(=O)C(=C3)C(=O)O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=NN(C(=O)C(=C3)C(=O)O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN2O4/c21-15-4-1-12(2-5-15)11-23-19(24)16(20(25)26)10-17(22-23)13-3-6-18-14(9-13)7-8-27-18/h1-6,9-10H,7-8,11H2,(H,25,26)