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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13ClN4O4 MolecularWeight: 372.76252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O4/c18-13-4-11-6-24-10-26-15(11)12(5-13)7-25-17(23)14-2-1-3-20-16(14)22-9-19-8-21-22/h1-5,8-9H,6-7,10H2