1-[(4-tert-butylphenoxy)methyl]-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-tert-butylphenoxy)methyl]-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-4-chloropyrazole-3-carboxylic acid Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid Formula: C15H17ClN2O3 MolecularWeight: 308.76008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C15H17ClN2O3/c1-15(2,3)10-4-6-11(7-5-10)21-9-18-8-12(16)13(17-18)14(19)20/h4-8H,9H2,1-3H3,(H,19,20)