(3S)-1-(2,4-dinitrophenyl)-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,4-dinitrophenyl)-N,N-diethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(2,4-dinitrophenyl)-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-1-(2,4-dinitrophenyl)-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,4-dinitrophenyl)-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-(2,4-dinitrophenyl)-N,N-diethyl-nipecotamide Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O5/c1-3-17(4-2)16(21)12-6-5-9-18(11-12)14-8-7-13(19(22)23)10-15(14)20(24)25/h7-8,10,12H,3-6,9,11H2,1-2H3/t12-/m0/s1