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

Systemtic Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2,5-dimethoxy-phenyl]diazenyl]-5-nitro-benzene-1,3-dicarbonitrile Openeye Name: 2-[4-[bis(2-hydroxyethyl)amino]-2,5-dimethoxy-phenyl]azo-5-nitro-benzene-1,3-dicarbonitrile CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]-2,5-dimethoxyphenyl]azo-5-nitrobenzene-1,3-dicarbonitrile IUPAC Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2,5-dimethoxyphenyl]diazenyl]-5-nitrobenzene-1,3-dicarbonitrile Traditional Name: 2-[4-[bis(2-hydroxyethyl)amino]-2,5-dimethoxy-phenyl]azo-5-nitro-isophthalonitrile Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)OC)N(CCO)CCO

Isomeric SMILES

COC1=CC(=C(C=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)OC)N(CCO)CCO

InChI

InChI=1S/C20H20N6O6/c1-31-18-10-17(25(3-5-27)4-6-28)19(32-2)9-16(18)23-24-20-13(11-21)7-15(26(29)30)8-14(20)12-22/h7-10,27-28H,3-6H2,1-2H3