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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4.ClH/c1-2-11(6-9-19)16-12-4-5-13(15-7-3-8-18)14(10-12)17(20)21;/h4-5,10-11,15-16,18-19H,2-3,6-9H2,1H3;1H