(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Cl

InChI

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