5-tert-butyl-N-(3-ethanoyl-4-nitro-phenyl)-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(3-ethanoyl-4-nitro-phenyl)-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(3-acetyl-4-nitro-phenyl)-5-tert-butyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-(3-acetyl-4-nitrophenyl)-5-tert-butyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(3-acetyl-4-nitrophenyl)-5-tert-butyl-2-methylpyrazole-3-carboxamide Traditional Name: N-(3-acetyl-4-nitro-phenyl)-5-tert-butyl-2-methyl-pyrazole-3-carboxamide Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=NN2C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=NN2C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-10(22)12-8-11(6-7-13(12)21(24)25)18-16(23)14-9-15(17(2,3)4)19-20(14)5/h6-9H,1-5H3,(H,18,23)