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

Systemtic Name: 4-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(3-nitrophenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(3-nitrophenyl)pyrazolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(3-nitrophenyl)-1-pyrazolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(3-nitrophenyl)pyrazolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[(3E)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(3-nitrophenyl)pyrazolidin-1-yl]-4-keto-butyric acid Formula: C28H21BrN4O6 MolecularWeight: 589.39354

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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)[N+](=O)[O-]

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(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21BrN4O6/c29-18-9-10-21-20(14-18)26(16-5-2-1-3-6-16)27(28(37)30-21)22-15-23(17-7-4-8-19(13-17)33(38)39)32(31-22)24(34)11-12-25(35)36/h1-10,13-14,23,31H,11-12,15H2,(H,35,36)/b27-22+