3-oxidanylidenebutan-2-yl 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylate CAS Name: 1-(3-chlorophenyl)-5-(2-furanyl)-3-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=NN(C(=C1)C2=CC=CO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15ClN2O4/c1-11(22)12(2)25-18(23)15-10-16(17-7-4-8-24-17)21(20-15)14-6-3-5-13(19)9-14/h3-10,12H,1-2H3