(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H15ClN2O4 MolecularWeight: 370.7864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC3=C(C=C2)OCO3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN2O4/c1-12-15(18(20)22(21-12)14-5-3-2-4-6-14)10-24-19(23)13-7-8-16-17(9-13)26-11-25-16/h2-9H,10-11H2,1H3