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

Systemtic Name: 4-[[2-[(5-bromanylfuran-2-yl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(2-furyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-3-(2-furanyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[2-[(5-bromofuran-2-carbonyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[2-[(5-bromo-2-furoyl)amino]-3-(2-furyl)acryloyl]amino]benzoic acid Formula: C19H13BrN2O6 MolecularWeight: 445.22032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O6/c20-16-8-7-15(28-16)18(24)22-14(10-13-2-1-9-27-13)17(23)21-12-5-3-11(4-6-12)19(25)26/h1-10H,(H,21,23)(H,22,24)(H,25,26)