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

Systemtic Name: 5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)piperidin-4-yl]-2-nitro-aniline Openeye Name: 5-[(3R,4S)-1-benzyl-3,4-dimethyl-4-piperidyl]-2-nitro-aniline CAS Name: 5-[(3R,4S)-3,4-dimethyl-1-(phenylmethyl)-4-piperidinyl]-2-nitroaniline IUPAC Name: 5-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]-2-nitroaniline Traditional Name: [5-[(3R,4S)-1-benzyl-3,4-dimethyl-4-piperidyl]-2-nitro-phenyl]amine Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=C(C=C2)[N+](=O)[O-])N)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[C@]1(C)C2=CC(=C(C=C2)[N+](=O)[O-])N)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2/c1-15-13-22(14-16-6-4-3-5-7-16)11-10-20(15,2)17-8-9-19(23(24)25)18(21)12-17/h3-9,12,15H,10-11,13-14,21H2,1-2H3/t15-,20-/m0/s1