N-(2-chloranyl-5-nitro-phenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-[(3-methoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-1-m-anisyl-isonipecotamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O4/c1-28-17-4-2-3-14(11-17)13-23-9-7-15(8-10-23)20(25)22-19-12-16(24(26)27)5-6-18(19)21/h2-6,11-12,15H,7-10,13H2,1H3,(H,22,25)