N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloranyl-2-phenyl-ethanamide

Systemtic Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloranyl-2-phenyl-ethanamide Openeye Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloro-2-phenyl-acetamide CAS Name: N-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-2-chloro-2-phenylacetamide IUPAC Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloro-2-phenylacetamide Traditional Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloro-2-phenyl-acetamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3/c1-21(2,3)17-13-18(23-20(27)19(22)14-7-5-4-6-8-14)25(24-17)15-9-11-16(12-10-15)26(28)29/h4-13,19H,1-3H3,(H,23,27)