(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN2O4/c21-17-8-15(9-18-19(17)26-7-6-25-18)13-27-20(24)16-10-22-23(12-16)11-14-4-2-1-3-5-14/h1-5,8-10,12H,6-7,11,13H2