(phenylmethyl) N-[5-tert-butyl-2-(4-fluorophenyl)-4-nitroso-pyrazol-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-tert-butyl-2-(4-fluorophenyl)-4-nitroso-pyrazol-3-yl]carbamate Openeye Name: benzyl N-[5-tert-butyl-2-(4-fluorophenyl)-4-nitroso-pyrazol-3-yl]carbamate CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-4-nitroso-3-pyrazolyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-tert-butyl-2-(4-fluorophenyl)-4-nitrosopyrazol-3-yl]carbamate Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)-4-nitroso-pyrazol-3-yl]carbamic acid benzyl ester Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1N=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1N=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4O3/c1-21(2,3)18-17(25-28)19(26(24-18)16-11-9-15(22)10-12-16)23-20(27)29-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,23,27)