(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-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-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C17H13BrN4O4/c18-13-7-15-14(24-4-5-25-15)6-11(13)8-26-17(23)12-2-1-3-20-16(12)22-10-19-9-21-22/h1-3,6-7,9-10H,4-5,8H2