(1-phenylpyrazol-4-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C19H15ClN2O4 MolecularWeight: 370.7864

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN2O4/c20-16-8-14(9-17-18(16)25-7-6-24-17)19(23)26-12-13-10-21-22(11-13)15-4-2-1-3-5-15/h1-5,8-11H,6-7,12H2