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

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-1-(4-methoxy-2-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-1-(4-methoxy-2-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-1-(4-methoxy-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-1-(4-methoxy-2-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-5-keto-1-(4-methoxy-2-nitro-phenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H17BrN4O4S MolecularWeight: 501.35308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)Br)C(=O)CCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H17BrN4O4S/c1-30-11-5-6-13(15(9-11)26(28)29)25-14-3-2-4-16(27)20(14)19(12(10-23)21(25)24)17-7-8-18(22)31-17/h5-9,19H,2-4,24H2,1H3