methyl 4-propanoyl-3-pyrazol-1-yl-benzoate

Systemtic Name: methyl 4-propanoyl-3-pyrazol-1-yl-benzoate Openeye Name: methyl 4-propanoyl-3-pyrazol-1-yl-benzoate CAS Name: 4-(1-oxopropyl)-3-(1-pyrazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-propanoyl-3-pyrazol-1-ylbenzoate Traditional Name: 4-propionyl-3-pyrazol-1-yl-benzoic acid methyl ester Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1)C(=O)OC)N2C=CC=N2

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1)C(=O)OC)N2C=CC=N2

InChI

InChI=1S/C14H14N2O3/c1-3-13(17)11-6-5-10(14(18)19-2)9-12(11)16-8-4-7-15-16/h4-9H,3H2,1-2H3