[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H17BrN2O7 MolecularWeight: 465.25148

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)NC(=O)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H17BrN2O7/c20-11-5-6-14(23)13(7-11)18(25)28-10-17(24)22-19(26)21-8-12-9-27-15-3-1-2-4-16(15)29-12/h1-7,12,23H,8-10H2,(H2,21,22,24,26)