(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic 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 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic 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=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

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