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

Systemtic Name: 4-[(3R)-5-(6-bromanyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(6-bromo-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(6-bromo-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(3-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(=CC=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(=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/h1-10,13-15,23,31H,11-12H2,(H,30,37)(H,35,36)/p-1/t23-/m1/s1