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

Systemtic Name: 2-azanyl-4-[3-[(4-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-1-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-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=C(C=C5)Br

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=C(C=C5)Br

InChI

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