(4-pyrazol-1-ylphenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H13ClN2O4 MolecularWeight: 356.75982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O4/c19-15-8-13(9-16-17(15)25-11-24-16)18(22)23-10-12-2-4-14(5-3-12)21-7-1-6-20-21/h1-9H,10-11H2