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

Systemtic Name: 3-[[2-[(5-bromanylfuran-2-yl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-[(5-bromofuran-2-carbonyl)amino]-3-phenyl-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-[(5-bromo-2-furoyl)amino]-3-phenyl-acryloyl]amino]benzoic acid Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C21H15BrN2O5/c22-18-10-9-17(29-18)20(26)24-16(11-13-5-2-1-3-6-13)19(25)23-15-8-4-7-14(12-15)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)