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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-1-(4-chloranyl-2-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(4-chloro-2-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-1-(4-chloro-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-1-(4-chloro-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-1-(4-chloro-2-nitro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H16BrClN4O3S MolecularWeight: 519.79874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(=C(N(C3=C2C(=O)CCC3)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)CCC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])N)C#N)Br

InChI

InChI=1S/C21H16BrClN4O3S/c1-10-13(22)8-18(31-10)19-12(9-24)21(25)26(15-3-2-4-17(28)20(15)19)14-6-5-11(23)7-16(14)27(29)30/h5-8,19H,2-4,25H2,1H3