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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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