N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(2S,6S)-2,6-dimethylpiperidino]-4-methyl-3-nitro-benzamide Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3/c1-10-7-8-13(9-14(10)18(20)21)15(19)16-17-11(2)5-4-6-12(17)3/h7-9,11-12H,4-6H2,1-3H3,(H,16,19)/t11-,12-/m0/s1