phenacyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: phenacyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: phenacyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid phenacyl ester IUPAC Name: phenacyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid phenacyl ester Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O3/c21-17(14-9-5-2-6-10-14)12-23-18(22)16-11-15(19-20-16)13-7-3-1-4-8-13/h1-11H,12H2,(H,19,20)