6-[4-[6-(diethylamino)hexyl]-3-nitro-phenyl]-N,N-diethyl-hexan-1-amine

Systemtic Name: 6-[4-[6-(diethylamino)hexyl]-3-nitro-phenyl]-N,N-diethyl-hexan-1-amine Openeye Name: 6-[4-[6-(diethylamino)hexyl]-3-nitro-phenyl]-N,N-diethyl-hexan-1-amine CAS Name: 6-[4-[6-(diethylamino)hexyl]-3-nitrophenyl]-N,N-diethyl-1-hexanamine IUPAC Name: 6-[4-[6-(diethylamino)hexyl]-3-nitrophenyl]-N,N-diethylhexan-1-amine Traditional Name: 6-[4-[6-(diethylamino)hexyl]-2-nitro-phenyl]hexyl-diethyl-amine Formula: C26H47N3O2 MolecularWeight: 433.67028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCC1=CC(=C(C=C1)CCCCCCN(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCCCCC1=CC(=C(C=C1)CCCCCCN(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C26H47N3O2/c1-5-27(6-2)21-15-11-9-13-17-24-19-20-25(26(23-24)29(30)31)18-14-10-12-16-22-28(7-3)8-4/h19-20,23H,5-18,21-22H2,1-4H3