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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-keto-7,7-dimethyl-1-(3-nitrophenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C22H19BrN4O3S MolecularWeight: 499.38026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O3S/c1-22(2)8-16-20(17(28)9-22)19(18-6-12(23)11-31-18)15(10-24)21(25)26(16)13-4-3-5-14(7-13)27(29)30/h3-7,11,19H,8-9,25H2,1-2H3