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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-acetamidobenzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H14BrNO5/c1-10(20)19-13-4-2-3-11(5-13)17(21)22-8-12-6-15-16(7-14(12)18)24-9-23-15/h2-7H,8-9H2,1H3,(H,19,20)