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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C3CC(N(N3)C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)C(=O)N=C2C=C1)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(/C(=C\3/CC(N(N3)C(=O)CCC(=O)O)C4=CC=C(C=C4)Br)/C(=O)N=C2C=C1)C5=CC=CC=C5

InChI

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