N-(4-methoxy-2-nitro-phenyl)-2-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]ethanamide Openeye Name: 2-[4-[hydroxy(phenyl)methyl]-1-piperidyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[4-[hydroxy(phenyl)methyl]-1-piperidinyl]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-[hydroxy(phenyl)methyl]piperidino]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-29-17-7-8-18(19(13-17)24(27)28)22-20(25)14-23-11-9-16(10-12-23)21(26)15-5-3-2-4-6-15/h2-8,13,16,21,26H,9-12,14H2,1H3,(H,22,25)