6-[(4-isocyano-2-nitro-phenyl)amino]hexan-1-ol

Systemtic Name: 6-[(4-isocyano-2-nitro-phenyl)amino]hexan-1-ol Openeye Name: 6-(4-isocyano-2-nitro-anilino)hexan-1-ol CAS Name: 6-(4-isocyano-2-nitroanilino)-1-hexanol IUPAC Name: 6-(4-isocyano-2-nitroanilino)hexan-1-ol Traditional Name: 6-(4-isocyano-2-nitro-anilino)hexan-1-ol Formula: C13H17N3O3 MolecularWeight: 263.29238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC(=C(C=C1)NCCCCCCO)[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]C1=CC(=C(C=C1)NCCCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-14-11-6-7-12(13(10-11)16(18)19)15-8-4-2-3-5-9-17/h6-7,10,15,17H,2-5,8-9H2