5-(2-bromanylprop-2-enoylamino)-1-methyl-3H-indazole-2-carboxylic acid

Systemtic Name: 5-(2-bromanylprop-2-enoylamino)-1-methyl-3H-indazole-2-carboxylic acid Openeye Name: 5-(2-bromoprop-2-enoylamino)-1-methyl-3H-indazole-2-carboxylic acid CAS Name: 5-[(2-bromo-1-oxoprop-2-enyl)amino]-1-methyl-3H-indazole-2-carboxylic acid IUPAC Name: 5-(2-bromoprop-2-enoylamino)-1-methyl-3H-indazole-2-carboxylic acid Traditional Name: 5-[(2-bromoacryloyl)amino]-1-methyl-indazoline-2-carboxylic acid Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN1C(=O)O)C=C(C=C2)NC(=O)C(=C)Br

Isomeric SMILES

CN1C2=C(CN1C(=O)O)C=C(C=C2)NC(=O)C(=C)Br

InChI

InChI=1S/C12H12BrN3O3/c1-7(13)11(17)14-9-3-4-10-8(5-9)6-16(12(18)19)15(10)2/h3-5H,1,6H2,2H3,(H,14,17)(H,18,19)