N-(2,6-dimethylphenyl)-2-[4-[2-(3-nitrophenoxy)ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-nitrophenoxy)ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-nitrophenoxy)acetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-nitrophenoxy)acetyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(3-nitrophenoxy)acetyl]piperazino]acetamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-16-5-3-6-17(2)22(16)23-20(27)14-24-9-11-25(12-10-24)21(28)15-31-19-8-4-7-18(13-19)26(29)30/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)