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

Systemtic Name: 4-[(3E)-5-(3-bromophenyl)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3E)-5-(3-bromophenyl)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3E)-5-(3-bromophenyl)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3E)-5-(3-bromophenyl)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3E)-5-(3-bromophenyl)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C28H21BrClN3O4 MolecularWeight: 578.84104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21BrClN3O4/c29-18-8-4-7-17(13-18)23-15-22(32-33(23)24(34)11-12-25(35)36)27-26(16-5-2-1-3-6-16)20-14-19(30)9-10-21(20)31-28(27)37/h1-10,13-14,23,32H,11-12,15H2,(H,35,36)/b27-22+