5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: 5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-nitro-aniline Openeye Name: 5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[(3S,5S)-3,5-dimethyl-1-piperazinyl]-2-nitroaniline IUPAC Name: 5-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-nitroaniline Traditional Name: [5-[(3S,5S)-3,5-dimethylpiperazino]-2-nitro-phenyl]amine Formula: C12H18N4O2 MolecularWeight: 250.29692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C[C@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H18N4O2/c1-8-6-15(7-9(2)14-8)10-3-4-12(16(17)18)11(13)5-10/h3-5,8-9,14H,6-7,13H2,1-2H3/t8-,9-/m0/s1