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

Systemtic Name: 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-1-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-1-(3-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C31H27BrN4O4 MolecularWeight: 599.47448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)C)COC5=CC=CC=C5Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N)C)COC5=CC=CC=C5Br

InChI

InChI=1S/C31H27BrN4O4/c1-18-13-20(17-40-28-12-4-3-9-25(28)32)19(2)23(14-18)29-24(16-33)31(34)35(26-10-6-11-27(37)30(26)29)21-7-5-8-22(15-21)36(38)39/h3-5,7-9,12-15,29H,6,10-11,17,34H2,1-2H3