(4-pyrazol-1-ylphenyl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C18H14N2O4/c21-18(14-4-7-16-17(10-14)24-12-23-16)22-11-13-2-5-15(6-3-13)20-9-1-8-19-20/h1-10H,11-12H2