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

Systemtic Name: methyl 4-[(E)-2-cyano-3-(6-fluoranyl-1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-cyano-3-(6-fluoro-1H-indol-3-yl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H13FN2O3 MolecularWeight: 348.327223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13FN2O3/c1-26-20(25)13-4-2-12(3-5-13)8-14(10-22)19(24)17-11-23-18-9-15(21)6-7-16(17)18/h2-9,11,23H,1H3/b14-8+