N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-5-[2-cyanoethyl(ethyl)amino]-4-ethoxy-phenyl]ethanamide

Systemtic Name: N-[2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-5-[2-cyanoethyl(ethyl)amino]-4-ethoxy-phenyl]ethanamide Openeye Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-5-[2-cyanoethyl(ethyl)amino]-4-ethoxy-phenyl]acetamide CAS Name: N-[2-(2-bromo-4,6-dinitrophenyl)azo-5-[2-cyanoethyl(ethyl)amino]-4-ethoxyphenyl]acetamide IUPAC Name: N-[2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-[2-cyanoethyl(ethyl)amino]-4-ethoxyphenyl]acetamide Traditional Name: N-[2-(2-bromo-4,6-dinitro-phenyl)azo-5-[2-cyanoethyl(ethyl)amino]-4-ethoxy-phenyl]acetamide Formula: C21H22BrN7O6 MolecularWeight: 548.34668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCN(CCC#N)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C21H22BrN7O6/c1-4-27(8-6-7-23)18-11-16(24-13(3)30)17(12-20(18)35-5-2)25-26-21-15(22)9-14(28(31)32)10-19(21)29(33)34/h9-12H,4-6,8H2,1-3H3,(H,24,30)