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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1)C(C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

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