1-[4-(hydroxymethyl)-2-nitro-phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[4-(hydroxymethyl)-2-nitro-phenyl]piperidine-3-carboxamide Openeye Name: 1-[4-(hydroxymethyl)-2-nitro-phenyl]piperidine-3-carboxamide CAS Name: 1-[4-(hydroxymethyl)-2-nitrophenyl]-3-piperidinecarboxamide IUPAC Name: 1-[4-(hydroxymethyl)-2-nitrophenyl]piperidine-3-carboxamide Traditional Name: 1-(4-methylol-2-nitro-phenyl)nipecotamide Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)CO)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)CO)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H17N3O4/c14-13(18)10-2-1-5-15(7-10)11-4-3-9(8-17)6-12(11)16(19)20/h3-4,6,10,17H,1-2,5,7-8H2,(H2,14,18)