[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C20H18BrNO7 MolecularWeight: 464.26342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrNO7/c1-11(23)15-7-17-18(28-10-27-17)8-16(15)22-19(24)9-26-20(25)12(2)29-14-5-3-13(21)4-6-14/h3-8,12H,9-10H2,1-2H3,(H,22,24)