4-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[2-cyanoethyl-[4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]amino]-2,2-dimethyl-butanoic acid Openeye Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-2,2-dimethyl-butanoic acid CAS Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)azoanilino]-2,2-dimethylbutanoic acid IUPAC Name: 4-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]-2,2-dimethylbutanoic acid Traditional Name: 4-[N-(2-cyanoethyl)-4-(2-cyano-4-nitro-phenyl)azo-anilino]-2,2-dimethyl-butyric acid Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4/c1-22(2,21(29)30)10-13-27(12-3-11-23)18-6-4-17(5-7-18)25-26-20-9-8-19(28(31)32)14-16(20)15-24/h4-9,14H,3,10,12-13H2,1-2H3,(H,29,30)