5-acetamido-4-bromanyl-1-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-acetamido-4-bromanyl-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-acetamido-4-bromo-1-methyl-pyrazole-3-carboxylic acid CAS Name: 5-acetamido-4-bromo-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-acetamido-4-bromo-1-methylpyrazole-3-carboxylic acid Traditional Name: 5-acetamido-4-bromo-1-methyl-pyrazole-3-carboxylic acid Formula: C7H8BrN3O3 MolecularWeight: 262.06072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=NN1C)C(=O)O)Br

Isomeric SMILES

CC(=O)NC1=C(C(=NN1C)C(=O)O)Br

InChI

InChI=1S/C7H8BrN3O3/c1-3(12)9-6-4(8)5(7(13)14)10-11(6)2/h1-2H3,(H,9,12)(H,13,14)