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

Systemtic Name: N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-4-methoxy-phenyl]ethanamide Openeye Name: N-[5-[bis(2-cyanoethyl)amino]-2-(2-bromo-4,6-dinitro-phenyl)azo-4-methoxy-phenyl]acetamide CAS Name: N-[5-[bis(2-cyanoethyl)amino]-2-(2-bromo-4,6-dinitrophenyl)azo-4-methoxyphenyl]acetamide IUPAC Name: N-[5-[bis(2-cyanoethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide Traditional Name: N-[5-[bis(2-cyanoethyl)amino]-2-(2-bromo-4,6-dinitro-phenyl)azo-4-methoxy-phenyl]acetamide Formula: C21H19BrN8O6 MolecularWeight: 559.32956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCC#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCC#N

InChI

InChI=1S/C21H19BrN8O6/c1-13(31)25-16-11-18(28(7-3-5-23)8-4-6-24)20(36-2)12-17(16)26-27-21-15(22)9-14(29(32)33)10-19(21)30(34)35/h9-12H,3-4,7-8H2,1-2H3,(H,25,31)