2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-chloranyl-5-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-1-(2-chloranyl-5-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-chloro-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-1-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-1-(2-chloro-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-1-(2-chloro-5-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H18BrClN4O3S MolecularWeight: 533.82532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C

InChI

InChI=1S/C22H18BrClN4O3S/c1-22(2)7-16-20(17(29)8-22)19(18-5-11(23)10-32-18)13(9-25)21(26)27(16)15-6-12(28(30)31)3-4-14(15)24/h3-6,10,19H,7-8,26H2,1-2H3