3-[[4-[(2-bromanyl-4-nitro-phenyl)diazenyl]phenyl]-phenethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[(2-bromanyl-4-nitro-phenyl)diazenyl]phenyl]-phenethyl-amino]propanenitrile Openeye Name: 3-[4-(2-bromo-4-nitro-phenyl)azo-N-phenethyl-anilino]propanenitrile CAS Name: 3-[4-(2-bromo-4-nitrophenyl)azo-N-phenethylanilino]propanenitrile IUPAC Name: 3-[4-[(2-bromo-4-nitrophenyl)diazenyl]-N-phenethylanilino]propanenitrile Traditional Name: 3-[4-(2-bromo-4-nitro-phenyl)azo-N-phenethyl-anilino]propionitrile Formula: C23H20BrN5O2 MolecularWeight: 478.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C23H20BrN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2