3-[[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(5-phenyl-2-furyl)acryloyl]amino]benzoic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H14N2O4/c22-13-16(20(24)23-17-8-4-7-15(11-17)21(25)26)12-18-9-10-19(27-18)14-5-2-1-3-6-14/h1-12H,(H,23,24)(H,25,26)