2-[butyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]pentan-1-ol

Systemtic Name: 2-[butyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]pentan-1-ol Openeye Name: 2-[N-butyl-4-(4-nitrophenyl)azo-anilino]pentan-1-ol CAS Name: 2-[N-butyl-4-(4-nitrophenyl)azoanilino]-1-pentanol IUPAC Name: 2-[N-butyl-4-[(4-nitrophenyl)diazenyl]anilino]pentan-1-ol Traditional Name: 2-[N-butyl-4-(4-nitrophenyl)azo-anilino]pentan-1-ol Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])C(CCC)CO

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])C(CCC)CO

InChI

InChI=1S/C21H28N4O3/c1-3-5-15-24(21(16-26)6-4-2)19-11-7-17(8-12-19)22-23-18-9-13-20(14-10-18)25(27)28/h7-14,21,26H,3-6,15-16H2,1-2H3