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

Systemtic Name: 4-[3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-phenyl-pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-phenyl-pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-phenyl-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-phenylpyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-phenyl-pyrazolidin-1-yl]-4-keto-butyric acid Formula: C28H22BrN3O4 MolecularWeight: 544.39598

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H22BrN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23,31H,13-14,16H2,(H,34,35)