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

Systemtic Name: 2-[5-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[2-cyano-3-(4-fluoroanilino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-[5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-[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=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

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

InChI

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