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

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]propionamide Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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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)CCN3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C22H23ClN4O4/c1-13-5-6-14(2)20(9-13)31-19-11-17(10-18(12-19)27(29)30)24-21(28)7-8-26-16(4)22(23)15(3)25-26/h5-6,9-12H,7-8H2,1-4H3,(H,24,28)