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

Systemtic Name: 2-azanyl-4-[3-[(4-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-chloro-3-nitro-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-chloro-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-chloro-3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-chloro-3-nitro-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H26BrClN4O4 MolecularWeight: 633.91954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N)C)COC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N)C)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C31H26BrClN4O4/c1-17-12-19(16-41-22-9-6-20(32)7-10-22)18(2)23(13-17)29-24(15-34)31(35)36(26-4-3-5-28(38)30(26)29)21-8-11-25(33)27(14-21)37(39)40/h6-14,29H,3-5,16,35H2,1-2H3