2-(4-bromanylphenoxy)ethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: 2-(4-bromophenoxy)ethyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid 2-(4-bromophenoxy)ethyl ester Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCOC2=CC=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCOC2=CC=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H18BrClN2O3/c1-14-18(19(22)24(23-14)13-15-5-3-2-4-6-15)20(25)27-12-11-26-17-9-7-16(21)8-10-17/h2-10H,11-13H2,1H3