N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-3-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-3-nitrobenzamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-3-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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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-])CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-21(2,3)18-13-19(24(23-18)14-15-8-5-4-6-9-15)22-20(26)16-10-7-11-17(12-16)25(27)28/h4-13H,14H2,1-3H3,(H,22,26)