(3R)-N,N-diethyl-1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3R)-N,N-diethyl-1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidine-3-carboxamide Openeye Name: (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperidine-3-carboxamide CAS Name: (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidine-3-carboxamide Traditional Name: (3R)-N,N-diethyl-1-(4-hydroxy-3-methoxy-5-nitro-benzyl)nipecotamide Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCCN(C1)CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5/c1-4-20(5-2)18(23)14-7-6-8-19(12-14)11-13-9-15(21(24)25)17(22)16(10-13)26-3/h9-10,14,22H,4-8,11-12H2,1-3H3/t14-/m1/s1