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

Systemtic Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-keto-ethyl] ester Formula: C19H19BrN2O5 MolecularWeight: 435.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC(=O)COC(=O)C3=C(C=CC(=C3)Br)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC(=O)COC(=O)C3=C(C=CC(=C3)Br)N

InChI

InChI=1S/C19H19BrN2O5/c20-13-2-3-15(21)14(10-13)19(24)27-11-18(23)22-6-5-12-1-4-16-17(9-12)26-8-7-25-16/h1-4,9-10H,5-8,11,21H2,(H,22,23)