phenacyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate

Systemtic Name: phenacyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Openeye Name: phenacyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid phenacyl ester IUPAC Name: phenacyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxylic acid phenacyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C=NN3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5/c23-16(13-4-2-1-3-5-13)12-27-20(24)15-11-21-22-19(15)14-6-7-17-18(10-14)26-9-8-25-17/h1-7,10-11H,8-9,12H2,(H,21,22)