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

Systemtic Name: 3-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-(2-hydroxyethyl)amino]propanenitrile Openeye Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(2-hydroxyethyl)-3-methyl-anilino]propanenitrile CAS Name: 3-[4-(2-chloro-4-nitrophenyl)azo-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile Traditional Name: 3-[4-(2-chloro-4-nitro-phenyl)azo-N-(2-hydroxyethyl)-3-methyl-anilino]propionitrile Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O3/c1-13-11-14(23(9-10-25)8-2-7-20)3-5-17(13)21-22-18-6-4-15(24(26)27)12-16(18)19/h3-6,11-12,25H,2,8-10H2,1H3