1-[(4-bromanyl-2-methyl-phenoxy)methyl]-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2-methyl-phenoxy)methyl]-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-methyl-phenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-bromo-2-methylphenoxy)methyl]-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-bromo-2-methylphenoxy)methyl]-4-chloropyrazole-3-carboxylic acid Traditional Name: 1-[(4-bromo-2-methyl-phenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid Formula: C12H10BrClN2O3 MolecularWeight: 345.5764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C12H10BrClN2O3/c1-7-4-8(13)2-3-10(7)19-6-16-5-9(14)11(15-16)12(17)18/h2-5H,6H2,1H3,(H,17,18)