4-[[(Z)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(Z)-3-(3-bromophenyl)-2-(furan-2-ylcarbonylamino)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(Z)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(Z)-3-(3-bromophenyl)-2-[[2-furanyl(oxo)methyl]amino]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-3-(3-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(Z)-3-(3-bromophenyl)-2-(2-furoylamino)acryloyl]amino]benzoic acid Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=C(C(=O)NC2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C=C(/C(=O)NC2=CC=C(C=C2)C(=O)O)\NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H15BrN2O5/c22-15-4-1-3-13(11-15)12-17(24-20(26)18-5-2-10-29-18)19(25)23-16-8-6-14(7-9-16)21(27)28/h1-12H,(H,23,25)(H,24,26)(H,27,28)/b17-12-