N-(2-tert-butyl-5-phenyl-pyrazol-3-yl)-3-nitro-benzamide

Systemtic Name: N-(2-tert-butyl-5-phenyl-pyrazol-3-yl)-3-nitro-benzamide Openeye Name: N-(2-tert-butyl-5-phenyl-pyrazol-3-yl)-3-nitro-benzamide CAS Name: N-(2-tert-butyl-5-phenyl-3-pyrazolyl)-3-nitrobenzamide IUPAC Name: N-(2-tert-butyl-5-phenylpyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-(2-tert-butyl-5-phenyl-pyrazol-3-yl)-3-nitro-benzamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-20(2,3)23-18(13-17(22-23)14-8-5-4-6-9-14)21-19(25)15-10-7-11-16(12-15)24(26)27/h4-13H,1-3H3,(H,21,25)