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

Systemtic Name: 4-chloranyl-1-[(4-propoxyphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(4-propoxyphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazole-3-carboxylic acid Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C14H15ClN2O4/c1-2-7-20-10-3-5-11(6-4-10)21-9-17-8-12(15)13(16-17)14(18)19/h3-6,8H,2,7,9H2,1H3,(H,18,19)