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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-nitro-benzamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-nitro-benzamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-nitrobenzamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-(5-tert-butyl-2-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)C1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

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