3-(5-chloranyl-2-ethoxy-4-methyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-chloranyl-2-ethoxy-4-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(5-chloro-2-ethoxy-4-methyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-chloro-2-ethoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-chloro-2-ethoxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(5-chloro-2-ethoxy-4-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Cl)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C2=NNC(=C2)C(=O)O)Cl)C

InChI

InChI=1S/C13H13ClN2O3/c1-3-19-12-4-7(2)9(14)5-8(12)10-6-11(13(17)18)16-15-10/h4-6H,3H2,1-2H3,(H,15,16)(H,17,18)