Molecule ID: 17886

IUPAC Name: 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol

Description: The molecule is an azo dye with a structure consisting of nitrobenzene substituted on the 4-position of the phenyl group with a 4-[N-ethyl-N-(2-hydroxyethyl)]phenylazo group. It has a role as a dye and an allergen. It is a monoazo compound and a member of azobenzenes. It derives from an azobenzene.

SMILES: CCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

SELFIES: [C][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring1][P]

InChI: InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3

Molecular Properties:
- Polar Surface Area: 94.0 Ų
- LogP: 3.3