3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-methyl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-methyl-1H-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromo-2,6-dimethyl-anilino)-5-methyl-1H-pyrazole-4-carboxylic acid CAS Name: 3-(4-bromo-2,6-dimethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid IUPAC Name: 3-(4-bromo-2,6-dimethylanilino)-5-methyl-1H-pyrazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2,6-dimethyl-anilino)-5-methyl-1H-pyrazole-4-carboxylic acid Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NNC(=C2C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NNC(=C2C(=O)O)C)C)Br

InChI

InChI=1S/C13H14BrN3O2/c1-6-4-9(14)5-7(2)11(6)15-12-10(13(18)19)8(3)16-17-12/h4-5H,1-3H3,(H,18,19)(H2,15,16,17)