2-azanyl-1-(4-fluoranyl-2-nitro-phenyl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-fluoranyl-2-nitro-phenyl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-1-(4-fluoro-2-nitro-phenyl)-7,7-dimethyl-4-(5-methyl-2-thienyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-1-(4-fluoro-2-nitrophenyl)-7,7-dimethyl-4-(5-methyl-2-thiophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-fluoro-2-nitrophenyl)-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-1-(4-fluoro-2-nitro-phenyl)-5-keto-7,7-dimethyl-4-(5-methyl-2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C23H21FN4O3S MolecularWeight: 452.501243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=C(C=C4)F)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C23H21FN4O3S/c1-12-4-7-19(32-12)20-14(11-25)22(26)27(15-6-5-13(24)8-16(15)28(30)31)17-9-23(2,3)10-18(29)21(17)20/h4-8,20H,9-10,26H2,1-3H3