3-[[4-[(2-bromanyl-6-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-(2-hydroxyethyl)amino]propanenitrile

Systemtic Name: 3-[[4-[(2-bromanyl-6-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-(2-hydroxyethyl)amino]propanenitrile Openeye Name: 3-[4-(2-bromo-6-chloro-4-nitro-phenyl)azo-N-(2-hydroxyethyl)-3-methyl-anilino]propanenitrile CAS Name: 3-[4-(2-bromo-6-chloro-4-nitrophenyl)azo-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile Traditional Name: 3-[4-(2-bromo-6-chloro-4-nitro-phenyl)azo-N-(2-hydroxyethyl)-3-methyl-anilino]propionitrile Formula: C18H17BrClN5O3 MolecularWeight: 466.71628

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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=C2Br)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17BrClN5O3/c1-12-9-13(24(7-8-26)6-2-5-21)3-4-17(12)22-23-18-15(19)10-14(25(27)28)11-16(18)20/h3-4,9-11,26H,2,6-8H2,1H3