methyl 4-[[2-[(5-bromanylfuran-2-yl)carbonyl-methyl-amino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[(5-bromanylfuran-2-yl)carbonyl-methyl-amino]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[(5-bromofuran-2-carbonyl)-methyl-amino]benzoyl]amino]benzoate CAS Name: 4-[[[2-[[(5-bromo-2-furanyl)-oxomethyl]-methylamino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-bromofuran-2-carbonyl)-methylamino]benzoyl]amino]benzoate Traditional Name: 4-[[2-[(5-bromo-2-furoyl)-methyl-amino]benzoyl]amino]benzoic acid methyl ester Formula: C21H17BrN2O5 MolecularWeight: 457.27408

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(O3)Br

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H17BrN2O5/c1-24(20(26)17-11-12-18(22)29-17)16-6-4-3-5-15(16)19(25)23-14-9-7-13(8-10-14)21(27)28-2/h3-12H,1-2H3,(H,23,25)