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

Systemtic Name: N-(5-chloranyl-2-methoxy-4-nitro-phenyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-4-nitro-phenyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxy-4-nitrophenyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxy-4-nitrophenyl)-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-chlorobenzyl)-N-(5-chloro-2-methoxy-4-nitro-phenyl)isonipecotamide Formula: C20H21Cl2N3O4 MolecularWeight: 438.30444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21Cl2N3O4/c1-29-19-11-18(25(27)28)16(22)10-17(19)23-20(26)14-6-8-24(9-7-14)12-13-2-4-15(21)5-3-13/h2-5,10-11,14H,6-9,12H2,1H3,(H,23,26)