5-(4-bromophenyl)-1-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)-1-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromophenyl)-1-[2-(tert-butylamino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 5-(4-bromophenyl)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromophenyl)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 5-(4-bromophenyl)-1-[2-(tert-butylamino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3/c1-10(15(22)19-17(2,3)4)21-14(9-13(20-21)16(23)24)11-5-7-12(18)8-6-11/h5-10H,1-4H3,(H,19,22)(H,23,24)