[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)OC(C)(C)C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)OC(C)(C)C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H21ClN2O4/c1-12-15(17(23)24-11-14(22)25-18(2,3)4)16(19)21(20-12)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3