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

Systemtic Name: 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-chloranyl-3-nitro-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-chloro-3-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-1-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-1-(4-chloro-3-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-1-(4-chloro-3-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H30BrClN4O4 MolecularWeight: 661.9727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N)COC5=CC=CC=C5Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N)C#N)COC5=CC=CC=C5Br)C

InChI

InChI=1S/C33H30BrClN4O4/c1-18-11-19(2)22(12-20(18)17-43-29-8-6-5-7-24(29)34)30-23(16-36)32(37)38(21-9-10-25(35)26(13-21)39(41)42)27-14-33(3,4)15-28(40)31(27)30/h5-13,30H,14-15,17,37H2,1-4H3