methyl 4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-[[(E)-2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenyl-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-[(5-bromo-2-furoyl)amino]-3-phenyl-acryloyl]amino]benzoic acid methyl ester Formula: C22H17BrN2O5 MolecularWeight: 469.28478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C22H17BrN2O5/c1-29-22(28)15-7-9-16(10-8-15)24-20(26)17(13-14-5-3-2-4-6-14)25-21(27)18-11-12-19(23)30-18/h2-13H,1H3,(H,24,26)(H,25,27)/b17-13+