3-[[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid

Systemtic Name: 3-[[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid Openeye Name: 3-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]azobenzoic acid CAS Name: 3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]azobenzoic acid IUPAC Name: 3-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]diazenyl]benzoic acid Traditional Name: 3-[4-[bis(2-cyanoethyl)amino]-2-methyl-phenyl]azobenzoic acid Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H19N5O2/c1-15-13-18(25(11-3-9-21)12-4-10-22)7-8-19(15)24-23-17-6-2-5-16(14-17)20(26)27/h2,5-8,13-14H,3-4,11-12H2,1H3,(H,26,27)