[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl] ester Formula: C19H17BrClNO5 MolecularWeight: 454.69898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C19H17BrClNO5/c1-11(12-2-5-16-17(8-12)26-7-6-25-16)22-18(23)10-27-19(24)14-9-13(20)3-4-15(14)21/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,23)