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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3,5-dinitro-benzamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3,5-dinitro-benzamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3,5-dinitrobenzamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-3,5-dinitrobenzamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3,5-dinitro-benzamide Formula: C20H19N5O5 MolecularWeight: 409.39536

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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-])[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-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N5O5/c1-20(2,3)17-12-18(23(22-17)14-7-5-4-6-8-14)21-19(26)13-9-15(24(27)28)11-16(10-13)25(29)30/h4-12H,1-3H3,(H,21,26)