phenacyl 4-chloranyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: phenacyl 4-chloranyl-1-methyl-pyrazole-3-carboxylate Openeye Name: phenacyl 4-chloro-1-methyl-pyrazole-3-carboxylate CAS Name: 4-chloro-1-methyl-3-pyrazolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 4-chloro-1-methylpyrazole-3-carboxylate Traditional Name: 4-chloro-1-methyl-pyrazole-3-carboxylic acid phenacyl ester Formula: C13H11ClN2O3 MolecularWeight: 278.69104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C13H11ClN2O3/c1-16-7-10(14)12(15-16)13(18)19-8-11(17)9-5-3-2-4-6-9/h2-7H,8H2,1H3