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

Systemtic Name: 3-[[3-nitro-4-(3-oxidanylpropylamino)phenyl]amino]pentan-1-ol Openeye Name: 3-[4-(3-hydroxypropylamino)-3-nitro-anilino]pentan-1-ol CAS Name: 3-[4-(3-hydroxypropylamino)-3-nitroanilino]-1-pentanol IUPAC Name: 3-[4-(3-hydroxypropylamino)-3-nitroanilino]pentan-1-ol Traditional Name: 3-[4-(3-hydroxypropylamino)-3-nitro-anilino]pentan-1-ol Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4/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