4-bromanyl-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-bromo-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-bromo-5-(3-methoxyphenyl)-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-bromo-5-(3-methoxyphenyl)-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-bromo-5-(3-methoxyphenyl)-2-methyl-pyrazole-3-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=CC=C2)OC)Br)C(=O)O

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=CC=C2)OC)Br)C(=O)O

InChI

InChI=1S/C12H11BrN2O3/c1-15-11(12(16)17)9(13)10(14-15)7-4-3-5-8(6-7)18-2/h3-6H,1-2H3,(H,16,17)