3-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile

Systemtic Name: 3-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-3-methyl-phenyl]-ethyl-amino]propanenitrile Openeye Name: 3-[4-(2,6-dichloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]propanenitrile CAS Name: 3-[4-(2,6-dichloro-4-nitrophenyl)azo-N-ethyl-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile Traditional Name: 3-[4-(2,6-dichloro-4-nitro-phenyl)azo-N-ethyl-3-methyl-anilino]propionitrile Formula: C18H17Cl2N5O2 MolecularWeight: 406.26588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H17Cl2N5O2/c1-3-24(8-4-7-21)13-5-6-17(12(2)9-13)22-23-18-15(19)10-14(25(26)27)11-16(18)20/h5-6,9-11H,3-4,8H2,1-2H3