(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H10BrNO4 MolecularWeight: 360.1589

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CC(=C3)C#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CC(=C3)C#N)Br

InChI

InChI=1S/C16H10BrNO4/c17-13-6-15-14(21-9-22-15)5-12(13)8-20-16(19)11-3-1-2-10(4-11)7-18/h1-6H,8-9H2