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

Systemtic Name: 4-chloranyl-1-[(3-ethylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(3-ethylphenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(3-ethylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(3-ethylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(3-ethylphenoxy)methyl]pyrazole-3-carboxylic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCN2C=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CCC1=CC(=CC=C1)OCN2C=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H13ClN2O3/c1-2-9-4-3-5-10(6-9)19-8-16-7-11(14)12(15-16)13(17)18/h3-7H,2,8H2,1H3,(H,17,18)