1-tert-butyl-3-(4-cyanophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-tert-butyl-3-(4-cyanophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-tert-butyl-3-(4-cyanophenyl)pyrazole-4-carboxylic acid CAS Name: 1-tert-butyl-3-(4-cyanophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-tert-butyl-3-(4-cyanophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-tert-butyl-3-(4-cyanophenyl)pyrazole-4-carboxylic acid Formula: C15H15N3O2 MolecularWeight: 269.2985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C15H15N3O2/c1-15(2,3)18-9-12(14(19)20)13(17-18)11-6-4-10(8-16)5-7-11/h4-7,9H,1-3H3,(H,19,20)