4-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-fluorophenyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3E)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C28H21BrFN3O4 MolecularWeight: 562.386443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

C\1C(N(N/C1=C/2\C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H21BrFN3O4/c29-18-8-11-21-20(14-18)26(17-4-2-1-3-5-17)27(28(37)31-21)22-15-23(16-6-9-19(30)10-7-16)33(32-22)24(34)12-13-25(35)36/h1-11,14,23,32H,12-13,15H2,(H,35,36)/b27-22+