2-[hexyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]butan-1-ol

Systemtic Name: 2-[hexyl-[4-[(4-nitrophenyl)diazenyl]phenyl]amino]butan-1-ol Openeye Name: 2-[N-hexyl-4-(4-nitrophenyl)azo-anilino]butan-1-ol CAS Name: 2-[N-hexyl-4-(4-nitrophenyl)azoanilino]-1-butanol IUPAC Name: 2-[N-hexyl-4-[(4-nitrophenyl)diazenyl]anilino]butan-1-ol Traditional Name: 2-[N-hexyl-4-(4-nitrophenyl)azo-anilino]butan-1-ol Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c1-3-5-6-7-16-25(20(4-2)17-27)21-12-8-18(9-13-21)23-24-19-10-14-22(15-11-19)26(28)29/h8-15,20,27H,3-7,16-17H2,1-2H3