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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC(=CS4)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC(=CS4)Br)C(=O)C1

InChI

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