(4-chloranyl-3,5-dinitro-phenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

Systemtic Name: (4-chloranyl-3,5-dinitro-phenyl)-[(2S)-2-methylpiperidin-1-yl]methanone Openeye Name: (4-chloro-3,5-dinitro-phenyl)-[(2S)-2-methyl-1-piperidyl]methanone CAS Name: (4-chloro-3,5-dinitrophenyl)-[(2S)-2-methyl-1-piperidinyl]methanone IUPAC Name: (4-chloro-3,5-dinitrophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone Traditional Name: (4-chloro-3,5-dinitro-phenyl)-[(2S)-2-methylpiperidino]methanone Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O5/c1-8-4-2-3-5-15(8)13(18)9-6-10(16(19)20)12(14)11(7-9)17(21)22/h6-8H,2-5H2,1H3/t8-/m0/s1