3-[[3-[4,5-bis(bromanyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[4,5-bis(bromanyl)furan-2-yl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(4,5-dibromo-2-furyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(4,5-dibromo-2-furanyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4,5-dibromofuran-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(4,5-dibromo-2-furyl)acryloyl]amino]benzoic acid Formula: C15H8Br2N2O4 MolecularWeight: 440.04302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(O2)Br)Br)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=C(O2)Br)Br)C#N)C(=O)O

InChI

InChI=1S/C15H8Br2N2O4/c16-12-6-11(23-13(12)17)5-9(7-18)14(20)19-10-3-1-2-8(4-10)15(21)22/h1-6H,(H,19,20)(H,21,22)