ethyl 5-(3-chloranylphenoxy)-4-(hydroxymethyl)-1-propan-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(3-chloranylphenoxy)-4-(hydroxymethyl)-1-propan-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(3-chlorophenoxy)-4-(hydroxymethyl)-1-isopropyl-pyrazole-3-carboxylate CAS Name: 5-(3-chlorophenoxy)-4-(hydroxymethyl)-1-propan-2-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-chlorophenoxy)-4-(hydroxymethyl)-1-propan-2-ylpyrazole-3-carboxylate Traditional Name: 5-(3-chlorophenoxy)-1-isopropyl-4-methylol-pyrazole-3-carboxylic acid ethyl ester Formula: C16H19ClN2O4 MolecularWeight: 338.78606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1CO)OC2=CC(=CC=C2)Cl)C(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1CO)OC2=CC(=CC=C2)Cl)C(C)C

InChI

InChI=1S/C16H19ClN2O4/c1-4-22-16(21)14-13(9-20)15(19(18-14)10(2)3)23-12-7-5-6-11(17)8-12/h5-8,10,20H,4,9H2,1-3H3