1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2,6-dimethyl-anilino)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromo-2,6-dimethylanilino)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromo-2,6-dimethylanilino)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2,6-dimethyl-anilino)-5-methyl-pyrazole-4-carboxylic acid Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NN2C(=C(C=N2)C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NN2C(=C(C=N2)C(=O)O)C)C)Br

InChI

InChI=1S/C13H14BrN3O2/c1-7-4-10(14)5-8(2)12(7)16-17-9(3)11(6-15-17)13(18)19/h4-6,16H,1-3H3,(H,18,19)