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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-acetamidobenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C18H16BrNO5/c1-11(21)20-14-4-2-12(3-5-14)18(22)25-10-13-8-16-17(9-15(13)19)24-7-6-23-16/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)