(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)C3=CC=C(C=C3)CN4C=NC=N4)Cl

InChI

InChI=1S/C18H14ClN3O4/c19-15-5-13(6-16-17(15)26-11-25-16)8-24-18(23)14-3-1-12(2-4-14)7-22-10-20-9-21-22/h1-6,9-10H,7-8,11H2