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

Systemtic Name: 3-[[4-[(2-bromanyl-6-methyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]-(2-hydroxyethyl)amino]propanenitrile Openeye Name: 3-[4-(2-bromo-6-methyl-4-nitro-phenyl)azo-N-(2-hydroxyethyl)-3-methyl-anilino]propanenitrile CAS Name: 3-[4-(2-bromo-6-methyl-4-nitrophenyl)azo-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile IUPAC Name: 3-[4-[(2-bromo-6-methyl-4-nitrophenyl)diazenyl]-N-(2-hydroxyethyl)-3-methylanilino]propanenitrile Traditional Name: 3-[4-(2-bromo-6-methyl-4-nitro-phenyl)azo-N-(2-hydroxyethyl)-3-methyl-anilino]propionitrile Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N=NC2=C(C=C(C=C2)N(CCC#N)CCO)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1N=NC2=C(C=C(C=C2)N(CCC#N)CCO)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN5O3/c1-13-10-15(24(8-9-26)7-3-6-21)4-5-18(13)22-23-19-14(2)11-16(25(27)28)12-17(19)20/h4-5,10-12,26H,3,7-9H2,1-2H3