(4-pyrazol-1-ylphenyl)methyl 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(3-bromanylphenoxy)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)OCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H15BrN2O3/c19-15-3-1-4-17(11-15)23-13-18(22)24-12-14-5-7-16(8-6-14)21-10-2-9-20-21/h1-11H,12-13H2