2-[[4-[(2-bromanyl-6-cyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-butyl-amino]ethyl ethanoate

Systemtic Name: 2-[[4-[(2-bromanyl-6-cyano-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-butyl-amino]ethyl ethanoate Openeye Name: 2-[4-(2-bromo-6-cyano-4-nitro-phenyl)azo-N-butyl-3-methyl-anilino]ethyl acetate CAS Name: acetic acid 2-[4-(2-bromo-6-cyano-4-nitrophenyl)azo-N-butyl-3-methylanilino]ethyl ester IUPAC Name: 2-[4-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-N-butyl-3-methylanilino]ethyl acetate Traditional Name: acetic acid 2-[4-(2-bromo-6-cyano-4-nitro-phenyl)azo-N-butyl-3-methyl-anilino]ethyl ester Formula: C22H24BrN5O4 MolecularWeight: 502.36106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Br)C

Isomeric SMILES

CCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Br)C

InChI

InChI=1S/C22H24BrN5O4/c1-4-5-8-27(9-10-32-16(3)29)18-6-7-21(15(2)11-18)25-26-22-17(14-24)12-19(28(30)31)13-20(22)23/h6-7,11-13H,4-5,8-10H2,1-3H3