N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-ethyl-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC(=C2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H21ClN4O4/c1-5-25-14(4)20(13(3)24-25)21(27)23-15-9-16(26(28)29)11-18(10-15)30-17-6-7-19(22)12(2)8-17/h6-11H,5H2,1-4H3,(H,23,27)