N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-methylpyrazol-1-yl)propanamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-methylpyrazol-1-yl)propanamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-methylpyrazol-1-yl)propanamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(4-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(4-methylpyrazol-1-yl)propionamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)C)C

InChI

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