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

Systemtic Name: 1-[(4-bromanyl-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(4-bromo-2-methylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-bromo-2-methylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-bromo-2-methyl-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O3/c1-8-6-9(13)2-3-11(8)18-7-15-5-4-10(14-15)12(16)17/h2-6H,7H2,1H3,(H,16,17)