N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propanamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propanamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propanamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(5-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(5-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(5-methylpyrazol-1-yl)propionamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-14-8-15(2)10-19(9-14)29-20-12-17(11-18(13-20)25(27)28)23-21(26)5-7-24-16(3)4-6-22-24/h4,6,8-13H,5,7H2,1-3H3,(H,23,26)