N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

Systemtic Name: N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Openeye Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide CAS Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-3-(3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-3-(3,5-dimethylpyrazol-1-yl)propionamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC2=CC(=CC(=C2)OC3=C(C=C(C=C3)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H21ClN4O4/c1-13-8-16(22)4-5-20(13)30-19-11-17(10-18(12-19)26(28)29)23-21(27)6-7-25-15(3)9-14(2)24-25/h4-5,8-12H,6-7H2,1-3H3,(H,23,27)