ethyl N-[[2,6-bis(bromanyl)-4-pyridin-4-yl-phenyl]-(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-N-nitroso-carbamate

Systemtic Name: ethyl N-[[2,6-bis(bromanyl)-4-pyridin-4-yl-phenyl]-(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-N-nitroso-carbamate Openeye Name: ethyl N-[(4-tert-butyl-2,6-dimethyl-phenyl)-[2,6-dibromo-4-(4-pyridyl)phenyl]methyl]-N-nitroso-carbamate CAS Name: N-[(4-tert-butyl-2,6-dimethylphenyl)-(2,6-dibromo-4-pyridin-4-ylphenyl)methyl]-N-nitrosocarbamic acid ethyl ester IUPAC Name: ethyl N-[(4-tert-butyl-2,6-dimethylphenyl)-(2,6-dibromo-4-pyridin-4-ylphenyl)methyl]-N-nitrosocarbamate Traditional Name: N-[(4-tert-butyl-2,6-dimethyl-phenyl)-[2,6-dibromo-4-(4-pyridyl)phenyl]methyl]-N-nitroso-carbamic acid ethyl ester Formula: C27H29Br2N3O3 MolecularWeight: 603.34546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C(C1=C(C=C(C=C1C)C(C)(C)C)C)C2=C(C=C(C=C2Br)C3=CC=NC=C3)Br)N=O

Isomeric SMILES

CCOC(=O)N(C(C1=C(C=C(C=C1C)C(C)(C)C)C)C2=C(C=C(C=C2Br)C3=CC=NC=C3)Br)N=O

InChI

InChI=1S/C27H29Br2N3O3/c1-7-35-26(33)32(31-34)25(23-16(2)12-20(13-17(23)3)27(4,5)6)24-21(28)14-19(15-22(24)29)18-8-10-30-11-9-18/h8-15,25H,7H2,1-6H3