N-(3-methylpyridin-2-yl)-1-[2-(3-nitrophenoxy)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(3-methylpyridin-2-yl)-1-[2-(3-nitrophenoxy)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(3-methyl-2-pyridyl)-1-[2-(3-nitrophenoxy)acetyl]piperidine-4-carboxamide CAS Name: N-(3-methyl-2-pyridinyl)-1-[2-(3-nitrophenoxy)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylpyridin-2-yl)-1-[2-(3-nitrophenoxy)acetyl]piperidine-4-carboxamide Traditional Name: N-(3-methyl-2-pyridyl)-1-[2-(3-nitrophenoxy)acetyl]isonipecotamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-14-4-3-9-21-19(14)22-20(26)15-7-10-23(11-8-15)18(25)13-29-17-6-2-5-16(12-17)24(27)28/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,22,26)