1-[(4-tert-butyl-2-methyl-phenoxy)methyl]-4-chloranyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-tert-butyl-2-methyl-phenoxy)methyl]-4-chloranyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(4-tert-butyl-2-methyl-phenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid CAS Name: 1-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloropyrazole-3-carboxylic acid Traditional Name: 1-[(4-tert-butyl-2-methyl-phenoxy)methyl]-4-chloro-pyrazole-3-carboxylic acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C16H19ClN2O3/c1-10-7-11(16(2,3)4)5-6-13(10)22-9-19-8-12(17)14(18-19)15(20)21/h5-8H,9H2,1-4H3,(H,20,21)