[2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=CO1)C(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CC(=O)NCC1=CC=CO1)C(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrN2O5/c1-20(10-15(21)19-9-14-3-2-8-24-14)16(22)11-25-17(23)12-4-6-13(18)7-5-12/h2-8H,9-11H2,1H3,(H,19,21)