2-[[4-[butyl(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-5-nitro-benzene-1,3-dicarbonitrile

Systemtic Name: 2-[[4-[butyl(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-5-nitro-benzene-1,3-dicarbonitrile Openeye Name: 2-[4-[butyl(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-5-nitro-benzene-1,3-dicarbonitrile CAS Name: 2-[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]azo-5-nitrobenzene-1,3-dicarbonitrile IUPAC Name: 2-[[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile Traditional Name: 2-[4-[butyl(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-5-nitro-isophthalonitrile Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCO)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCCCN(CCO)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C21H22N6O3/c1-3-4-7-26(8-9-28)18-5-6-20(15(2)10-18)24-25-21-16(13-22)11-19(27(29)30)12-17(21)14-23/h5-6,10-12,28H,3-4,7-9H2,1-2H3