4-[(5S)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-nitrophenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(5S)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-nitrophenyl)pyrazolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(5S)-3-(6-chloro-2-oxo-4-phenyl-3-quinolylidene)-5-(4-nitrophenyl)pyrazolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[(5S)-3-(6-chloro-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-nitrophenyl)-1-pyrazolidinyl]-4-oxobutanoate IUPAC Name: 4-[(5S)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-nitrophenyl)pyrazolidin-1-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(6-chloro-2-keto-4-phenyl-3-quinolylidene)-5-(4-nitrophenyl)pyrazolidin-1-yl]-4-keto-butyrate Formula: C28H20ClN4O6- MolecularWeight: 543.9346

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

Isomeric SMILES

C1[C@H](N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)C(=O)CCC(=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21ClN4O6/c29-18-8-11-21-20(14-18)26(17-4-2-1-3-5-17)27(28(37)30-21)22-15-23(16-6-9-19(10-7-16)33(38)39)32(31-22)24(34)12-13-25(35)36/h1-11,14,23,31H,12-13,15H2,(H,35,36)/p-1/t23-/m0/s1