(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-cyanobenzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-cyanobenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H12BrNO4 MolecularWeight: 374.18548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H12BrNO4/c18-14-8-16-15(21-5-6-22-16)7-13(14)10-23-17(20)12-3-1-11(9-19)2-4-12/h1-4,7-8H,5-6,10H2