3-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(2-cyanoethyl)anilino]propanenitrile CAS Name: 3-[4-(2-chloro-4-nitrophenyl)azo-N-(2-cyanoethyl)anilino]propanenitrile IUPAC Name: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile Traditional Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(2-cyanoethyl)anilino]propionitrile Formula: C18H15ClN6O2 MolecularWeight: 382.8037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N

InChI

InChI=1S/C18H15ClN6O2/c19-17-13-16(25(26)27)7-8-18(17)23-22-14-3-5-15(6-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2