2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-4-[5-[(4-fluoranylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(2-chloranyl-4-nitro-phenyl)-4-[5-[(4-fluoranylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[5-[(4-fluorophenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[5-[(4-fluorophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(2-chloro-4-nitrophenyl)-4-[5-[(4-fluorophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-1-(2-chloro-4-nitro-phenyl)-4-[5-[(4-fluorophenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H26ClFN4O4 MolecularWeight: 573.013943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N)COC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)N)C#N)COC5=CC=C(C=C5)F)C

InChI

InChI=1S/C31H26ClFN4O4/c1-17-12-18(2)23(13-19(17)16-41-22-9-6-20(33)7-10-22)29-24(15-34)31(35)36(27-4-3-5-28(38)30(27)29)26-11-8-21(37(39)40)14-25(26)32/h6-14,29H,3-5,16,35H2,1-2H3