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

Systemtic Name: 4-chloranyl-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(3-methylphenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(3-methylphenoxy)methyl]pyrazole-3-carboxylic acid Formula: C12H11ClN2O3 MolecularWeight: 266.68034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O3/c1-8-3-2-4-9(5-8)18-7-15-6-10(13)11(14-15)12(16)17/h2-6H,7H2,1H3,(H,16,17)