dodecyl 5-[[2-hydroxyethyl-(4-methylphenyl)amino]diazenyl]-2-nitro-benzoate

Systemtic Name: dodecyl 5-[[2-hydroxyethyl-(4-methylphenyl)amino]diazenyl]-2-nitro-benzoate Openeye Name: dodecyl 5-[N-(2-hydroxyethyl)-4-methyl-anilino]azo-2-nitro-benzoate CAS Name: 5-[N-(2-hydroxyethyl)-4-methylanilino]azo-2-nitrobenzoic acid dodecyl ester IUPAC Name: dodecyl 5-[[N-(2-hydroxyethyl)-4-methylanilino]diazenyl]-2-nitrobenzoate Traditional Name: 5-[N-(2-hydroxyethyl)-4-methyl-anilino]azo-2-nitro-benzoic acid lauryl ester Formula: C28H40N4O5 MolecularWeight: 512.641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)N=NN(CCO)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)N=NN(CCO)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C28H40N4O5/c1-3-4-5-6-7-8-9-10-11-12-21-37-28(34)26-22-24(15-18-27(26)32(35)36)29-30-31(19-20-33)25-16-13-23(2)14-17-25/h13-18,22,33H,3-12,19-21H2,1-2H3