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

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-chloranyl-3-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-1-(4-chloro-3-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-1-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-1-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-1-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1)C

Isomeric SMILES

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

InChI

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