methyl 3-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C16H15BrN2O5/c1-9-3-4-10(16(22)23-2)7-11(9)19-14(20)8-18-15(21)12-5-6-13(17)24-12/h3-7H,8H2,1-2H3,(H,18,21)(H,19,20)