2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]acetamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)C)Cl)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=C(C(=N3)C)Cl)C)C

InChI

InChI=1S/C21H21ClN4O4/c1-12-5-13(2)7-18(6-12)30-19-9-16(8-17(10-19)26(28)29)23-20(27)11-25-15(4)21(22)14(3)24-25/h5-10H,11H2,1-4H3,(H,23,27)