[(1S)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-cyanobenzoate

Systemtic Name: [(1S)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 4-cyanobenzoate Openeye Name: [(1S)-7-fluoro-1-methyl-3-oxo-indan-4-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S)-7-fluoro-3-keto-1-methyl-indan-4-yl] ester Formula: C18H12FNO3 MolecularWeight: 309.291183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H12FNO3/c1-10-8-14(21)17-15(7-6-13(19)16(10)17)23-18(22)12-4-2-11(9-20)3-5-12/h2-7,10H,8H2,1H3/t10-/m0/s1