[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [(2S,6S)-2,6-dimethyl-1-piperidyl]-(3,5-dinitrophenyl)methanone CAS Name: [(2S,6S)-2,6-dimethyl-1-piperidinyl]-(3,5-dinitrophenyl)methanone IUPAC Name: [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [(2S,6S)-2,6-dimethylpiperidino]-(3,5-dinitrophenyl)methanone Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C14H17N3O5/c1-9-4-3-5-10(2)15(9)14(18)11-6-12(16(19)20)8-13(7-11)17(21)22/h6-10H,3-5H2,1-2H3/t9-,10-/m0/s1