1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-4-chloro-pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-chloropyrazole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-4-chloro-pyrazole-3-carboxylic acid Formula: C18H14BrClN2O3 MolecularWeight: 421.67236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C=C(C(=N3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C=C(C(=N3)C(=O)O)Cl

InChI

InChI=1S/C18H14BrClN2O3/c19-14-6-7-16(25-11-12-4-2-1-3-5-12)13(8-14)9-22-10-15(20)17(21-22)18(23)24/h1-8,10H,9,11H2,(H,23,24)