4-chloranyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxylic acid Formula: C14H15ClN2O3 MolecularWeight: 294.7335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O3/c1-9(2)10-3-5-11(6-4-10)20-8-17-7-12(15)13(16-17)14(18)19/h3-7,9H,8H2,1-2H3,(H,18,19)