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

Systemtic Name: 3-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]propanenitrile CAS Name: 3-[4-(2-chloro-4-nitrophenyl)azo-N-ethyl-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile Traditional Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]propionitrile Formula: C18H18ClN5O2 MolecularWeight: 371.82082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O2/c1-3-23(10-4-9-20)14-5-7-17(13(2)11-14)21-22-18-8-6-15(24(25)26)12-16(18)19/h5-8,11-12H,3-4,10H2,1-2H3