4-[(3S)-5-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(4-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(4-nitrophenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C28H20BrN4O6- MolecularWeight: 588.3856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Br)C4=CC(N(N4)C(=O)CCC(=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Br)C4=C[C@H](N(N4)C(=O)CCC(=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H21BrN4O6/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/h1-11,14-15,23,31H,12-13H2,(H,30,37)(H,35,36)/p-1/t23-/m0/s1