1-ethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide CAS Name: 1-ethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Traditional Name: 1-ethyl-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]pyrazole-3-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=CC(=CC(=C2)OC3=CC(=CC(=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-5-24-7-6-19(23-24)21(26)22-16-10-17(25(27)28)12-18(11-16)29-20-9-13(2)8-14(3)15(20)4/h6-12H,5H2,1-4H3,(H,22,26)