(2-oxidanylideneoxolan-3-yl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-oxotetrahydrofuran-3-yl) 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2CCOC2=O)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC2CCOC2=O)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C16H15ClN2O4/c1-10-13(16(21)23-12-7-8-22-15(12)20)14(17)19(18-10)9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3