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

Systemtic Name: 4-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-methylphenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(p-tolyl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-methylphenyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-methylphenyl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3E)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(p-tolyl)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C29H24BrN3O4 MolecularWeight: 558.42256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=C3C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)NN2C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C/C(=C\3/C(=C4C=C(C=CC4=NC3=O)Br)C5=CC=CC=C5)/NN2C(=O)CCC(=O)O

InChI

InChI=1S/C29H24BrN3O4/c1-17-7-9-18(10-8-17)24-16-23(32-33(24)25(34)13-14-26(35)36)28-27(19-5-3-2-4-6-19)21-15-20(30)11-12-22(21)31-29(28)37/h2-12,15,24,32H,13-14,16H2,1H3,(H,35,36)/b28-23+