5-(4-bromophenyl)-1-(3,3-dimethyl-2-oxidanylidene-butyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-bromophenyl)-1-(3,3-dimethyl-2-oxidanylidene-butyl)pyrazole-3-carboxylic acid Openeye Name: 5-(4-bromophenyl)-1-(3,3-dimethyl-2-oxo-butyl)pyrazole-3-carboxylic acid CAS Name: 5-(4-bromophenyl)-1-(3,3-dimethyl-2-oxobutyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-bromophenyl)-1-(3,3-dimethyl-2-oxobutyl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-bromophenyl)-1-(2-keto-3,3-dimethyl-butyl)pyrazole-3-carboxylic acid Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O3/c1-16(2,3)14(20)9-19-13(8-12(18-19)15(21)22)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,21,22)