2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(2-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-1-(2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5-keto-1-(2-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H15BrN4O3S MolecularWeight: 471.3271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC=CC=C3[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC=CC=C3[N+](=O)[O-])N)C#N)C4=CC=C(S4)Br)C(=O)C1

InChI

InChI=1S/C20H15BrN4O3S/c21-17-9-8-16(29-17)18-11(10-22)20(23)24(14-6-3-7-15(26)19(14)18)12-4-1-2-5-13(12)25(27)28/h1-2,4-5,8-9,18H,3,6-7,23H2