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

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-1-(2-thenoyl)isonipecotamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O5S/c22-15-4-3-14(21(25)26)10-13(15)11-19-17(23)12-5-7-20(8-6-12)18(24)16-2-1-9-27-16/h1-4,9-10,12,22H,5-8,11H2,(H,19,23)