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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-1-(4-chloranyl-2-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(4-chloro-2-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-1-(4-chloro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(4-chloro-2-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H20BrClN4O3S MolecularWeight: 547.8519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)Br

Isomeric SMILES

CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)Br

InChI

InChI=1S/C23H20BrClN4O3S/c1-11-14(24)7-19(33-11)20-13(10-26)22(27)28(15-5-4-12(25)6-16(15)29(31)32)17-8-23(2,3)9-18(30)21(17)20/h4-7,20H,8-9,27H2,1-3H3