2-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]amino]pentan-1-ol hydrochloride

Systemtic Name: 2-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]amino]pentan-1-ol hydrochloride Openeye Name: 2-[4-(3-hydroxypropylamino)-3-nitro-anilino]pentan-1-ol hydrochloride CAS Name: 2-[4-(3-hydroxypropylamino)-3-nitroanilino]-1-pentanol hydrochloride IUPAC Name: 2-[4-(3-hydroxypropylamino)-3-nitroanilino]pentan-1-ol hydrochloride Traditional Name: 2-[4-(3-hydroxypropylamino)-3-nitro-anilino]pentan-1-ol hydrochloride Formula: C14H24ClN3O4 MolecularWeight: 333.81106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CO)NC1=CC(=C(C=C1)NCCCO)[N+](=O)[O-].Cl

Isomeric SMILES

CCCC(CO)NC1=CC(=C(C=C1)NCCCO)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H23N3O4.ClH/c1-2-4-12(10-19)16-11-5-6-13(15-7-3-8-18)14(9-11)17(20)21;/h5-6,9,12,15-16,18-19H,2-4,7-8,10H2,1H3;1H