3-[[2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-bromo-2-furoyl)amino]-3-(4-methoxyphenyl)acryloyl]amino]benzoic acid Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C22H17BrN2O6/c1-30-16-7-5-13(6-8-16)11-17(25-21(27)18-9-10-19(23)31-18)20(26)24-15-4-2-3-14(12-15)22(28)29/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)