(5-bromanyl-2-methoxy-phenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H14BrN3O3/c1-23-16-7-4-14(18)8-13(16)9-24-17(22)12-2-5-15(6-3-12)21-11-19-10-20-21/h2-8,10-11H,9H2,1H3