(E)-4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (E)-4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (E)-4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (E)-4-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (E)-4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (E)-4-[1-(2-chlorobenzyl)pyrazol-4-yl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C23H16ClN3O3 MolecularWeight: 417.84444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CN(N=C3)CC4=CC=CC=C4Cl)C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C(=C\C3=CN(N=C3)CC4=CC=CC=C4Cl)/C(=O)C(=O)O

InChI

InChI=1S/C23H16ClN3O3/c24-19-7-3-1-6-17(19)14-27-13-15(12-25-27)11-18(22(28)23(29)30)21-10-9-16-5-2-4-8-20(16)26-21/h1-13H,14H2,(H,29,30)/b18-11+