1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-[(2-chloro-5-nitro-phenyl)methyl]piperidine-3-carboxamide CAS Name: 1-[(2-chloro-5-nitrophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-5-nitrophenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(2-chloro-5-nitro-benzyl)nipecotamide Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C13H16ClN3O3/c14-12-4-3-11(17(19)20)6-10(12)8-16-5-1-2-9(7-16)13(15)18/h3-4,6,9H,1-2,5,7-8H2,(H2,15,18)