2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]ethanamide

Systemtic Name: 2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]ethanamide Openeye Name: 2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide CAS Name: 2-(5-methyl-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide IUPAC Name: 2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide Traditional Name: 2-(5-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]acetamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-13-7-14(2)16(4)20(8-13)29-19-10-17(9-18(11-19)25(27)28)23-21(26)12-24-15(3)5-6-22-24/h5-11H,12H2,1-4H3,(H,23,26)