ethyl 1-[(3-bromanyl-4-methoxy-phenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[(3-bromanyl-4-methoxy-phenyl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[(3-bromo-4-methoxy-phenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-bromo-4-methoxyphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(3-bromo-4-methoxy-benzyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H15BrN2O3 MolecularWeight: 339.1845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCOC(=O)C1=CN(N=C1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C14H15BrN2O3/c1-3-20-14(18)11-7-16-17(9-11)8-10-4-5-13(19-2)12(15)6-10/h4-7,9H,3,8H2,1-2H3