5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-(5-bromo-1,3-dioxo-2-isoindolyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(5-bromo-1,3-dioxoisoindol-2-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(5-bromo-1,3-diketo-isoindolin-2-yl)-1-methyl-pyrazole-4-carboxylic acid Formula: C13H8BrN3O4 MolecularWeight: 350.12432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C13H8BrN3O4/c1-16-10(9(5-15-16)13(20)21)17-11(18)7-3-2-6(14)4-8(7)12(17)19/h2-5H,1H3,(H,20,21)