5-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-2-nitro-aniline

Systemtic Name: 5-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]-2-nitro-aniline Openeye Name: 5-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-2-nitro-aniline CAS Name: 5-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]-2-nitroaniline IUPAC Name: 5-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-2-nitroaniline Traditional Name: [5-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]-2-nitro-phenyl]amine Formula: C19H31N3O2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C19H31N3O2/c1-4-5-6-7-11-21-12-10-19(3,15(2)14-21)16-8-9-18(22(23)24)17(20)13-16/h8-9,13,15H,4-7,10-12,14,20H2,1-3H3/t15-,19-/m0/s1