N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2-chloranyl-4-nitro-phenoxy)ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2-chloranyl-4-nitro-phenoxy)ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2-chloro-4-nitro-phenoxy)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(2-chloro-4-nitrophenoxy)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(2-chloro-4-nitrophenoxy)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2-chloro-4-nitro-phenoxy)acetamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O4/c1-21(2,3)18-12-19(25(24-18)14-7-5-4-6-8-14)23-20(27)13-30-17-10-9-15(26(28)29)11-16(17)22/h4-12H,13H2,1-3H3,(H,23,27)