methyl 4-[[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H15BrN2O5/c1-23-16(22)11-4-2-10(3-5-11)8-18-14(20)9-19-15(21)12-6-7-13(17)24-12/h2-7H,8-9H2,1H3,(H,18,20)(H,19,21)