4-[5-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 4-[5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[2-cyano-3-(4-fluoroanilino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C21H13FN2O4 MolecularWeight: 376.337323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H13FN2O4/c22-16-5-7-17(8-6-16)24-20(25)15(12-23)11-18-9-10-19(28-18)13-1-3-14(4-2-13)21(26)27/h1-11H,(H,24,25)(H,26,27)