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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-acetamidobenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-acetamidobenzoate CAS Name: 3-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 3-acetamidobenzoate Traditional Name: 3-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=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

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

InChI

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