N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(2S,6S)-2,6-dimethylpiperidino]-2-methyl-3-nitro-benzamide Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C15H21N3O3/c1-10-6-4-7-11(2)17(10)16-15(19)13-8-5-9-14(12(13)3)18(20)21/h5,8-11H,4,6-7H2,1-3H3,(H,16,19)/t10-,11-/m0/s1