[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C19H18BrNO6 MolecularWeight: 436.25332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)COC3=CC(=CC=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)COC3=CC(=CC=C3)Br)OC1

InChI

InChI=1S/C19H18BrNO6/c20-13-3-1-4-15(9-13)26-12-19(23)27-11-18(22)21-14-5-6-16-17(10-14)25-8-2-7-24-16/h1,3-6,9-10H,2,7-8,11-12H2,(H,21,22)