(4R)-2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-1-(4-bromanyl-2-fluoranyl-phenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: (4R)-2-amino-1-(4-bromo-2-fluoro-phenyl)-7,7-dimethyl-4-(5-nitro-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: (4R)-2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-4-(5-nitro-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R)-2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: (4R)-2-amino-1-(4-bromo-2-fluoro-phenyl)-5-keto-7,7-dimethyl-4-(5-nitro-2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H18BrFN4O3S MolecularWeight: 517.370723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(S4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C22H18BrFN4O3S/c1-22(2)8-15-20(16(29)9-22)19(17-5-6-18(32-17)28(30)31)12(10-25)21(26)27(15)14-4-3-11(23)7-13(14)24/h3-7,19H,8-9,26H2,1-2H3/t19-/m0/s1