(3S)-1-[2-(methylamino)-5-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(methylamino)-5-nitro-phenyl]carbonyl-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(methylamino)-5-nitro-benzoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(methylamino)-5-nitrobenzoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(methylamino)-5-nitro-benzoyl]-N-phenyl-nipecotamide Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-21-18-10-9-16(24(27)28)12-17(18)20(26)23-11-5-6-14(13-23)19(25)22-15-7-3-2-4-8-15/h2-4,7-10,12,14,21H,5-6,11,13H2,1H3,(H,22,25)/t14-/m0/s1