(6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(dimethylamino)benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 4-(dimethylamino)benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H16BrNO4 MolecularWeight: 378.21724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H16BrNO4/c1-19(2)13-5-3-11(4-6-13)17(20)21-9-12-7-15-16(8-14(12)18)23-10-22-15/h3-8H,9-10H2,1-2H3