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

Systemtic Name: 2-azanyl-4-(2,5-diethoxyphenyl)-1-(4-fluoranyl-2-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(2,5-diethoxyphenyl)-1-(4-fluoro-2-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(2,5-diethoxyphenyl)-1-(4-fluoro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2,5-diethoxyphenyl)-1-(4-fluoro-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(2,5-diethoxyphenyl)-1-(4-fluoro-2-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C28H29FN4O5 MolecularWeight: 520.552063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)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

CCOC1=CC(=C(C=C1)OCC)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/C28H29FN4O5/c1-5-37-17-8-10-24(38-6-2)18(12-17)25-19(15-30)27(31)32(20-9-7-16(29)11-21(20)33(35)36)22-13-28(3,4)14-23(34)26(22)25/h7-12,25H,5-6,13-14,31H2,1-4H3