N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-(2-phenoxyethanoyl)piperidine-4-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-(2-phenoxyethanoyl)piperidine-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(1-oxo-2-phenoxyethyl)-4-piperidinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-(2-phenoxyacetyl)isonipecotamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6/c25-19-7-6-17(24(28)29)12-16(19)13-22-21(27)15-8-10-23(11-9-15)20(26)14-30-18-4-2-1-3-5-18/h1-7,12,15,25H,8-11,13-14H2,(H,22,27)