4-[(E)-2-cyano-3-(6-fluoranyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-(6-fluoranyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-keto-prop-1-enyl]benzoic acid Formula: C19H11FN2O3 MolecularWeight: 334.300643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)C2=CNC3=C2C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)C2=CNC3=C2C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C19H11FN2O3/c20-14-5-6-15-16(10-22-17(15)8-14)18(23)13(9-21)7-11-1-3-12(4-2-11)19(24)25/h1-8,10,22H,(H,24,25)/b13-7+