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

Systemtic Name: [(1S)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3-methyl-4-nitro-benzoate Openeye Name: [(1S)-7-fluoro-1-methyl-3-oxo-indan-4-yl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic 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] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1S)-7-fluoro-3-keto-1-methyl-indan-4-yl] ester Formula: C18H14FNO5 MolecularWeight: 343.305863

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H14FNO5/c1-9-7-11(3-5-13(9)20(23)24)18(22)25-15-6-4-12(19)16-10(2)8-14(21)17(15)16/h3-7,10H,8H2,1-2H3/t10-/m0/s1