3-tert-butyl-5-chloranyl-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-tert-butyl-5-chloro-pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-tert-butyl-5-chloropyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-tert-butyl-5-chloro-pyrazole-4-carboxylic acid Formula: C15H17ClN2O2 MolecularWeight: 292.76068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C15H17ClN2O2/c1-15(2,3)12-11(14(19)20)13(16)18(17-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,19,20)