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

Systemtic Name: 4-[(3-methyl-4-nitro-phenyl)-(4-oxidanylbutyl)amino]pentan-1-ol Openeye Name: 4-[N-(4-hydroxybutyl)-3-methyl-4-nitro-anilino]pentan-1-ol CAS Name: 4-[N-(4-hydroxybutyl)-3-methyl-4-nitroanilino]-1-pentanol IUPAC Name: 4-[N-(4-hydroxybutyl)-3-methyl-4-nitroanilino]pentan-1-ol Traditional Name: 4-[N-(4-hydroxybutyl)-3-methyl-4-nitro-anilino]pentan-1-ol Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCCO)C(C)CCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCCO)C(C)CCCO)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O4/c1-13-12-15(7-8-16(13)18(21)22)17(9-3-4-10-19)14(2)6-5-11-20/h7-8,12,14,19-20H,3-6,9-11H2,1-2H3