1-[(4-bromophenyl)methyl]-N-[(4-nitrophenyl)methyl]-2-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(4-nitrophenyl)methyl]-2-oxidanylidene-piperidine-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(4-nitrophenyl)methyl]-2-oxo-piperidine-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(4-nitrophenyl)methyl]-2-oxo-3-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(4-nitrophenyl)methyl]-2-oxopiperidine-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-2-keto-N-(4-nitrobenzyl)nipecotamide Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(C(=O)N(C1)CC2=CC=C(C=C2)Br)C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN3O4/c21-16-7-3-15(4-8-16)13-23-11-1-2-18(20(23)26)19(25)22-12-14-5-9-17(10-6-14)24(27)28/h3-10,18H,1-2,11-13H2,(H,22,25)