methyl (1R,2S)-2-fluoranyl-1-(4-nitrophenyl)-3-oxidanylidene-1H-indene-2-carboxylate

Systemtic Name: methyl (1R,2S)-2-fluoranyl-1-(4-nitrophenyl)-3-oxidanylidene-1H-indene-2-carboxylate Openeye Name: methyl (1R,2S)-2-fluoro-1-(4-nitrophenyl)-3-oxo-indane-2-carboxylate CAS Name: (1R,2S)-2-fluoro-1-(4-nitrophenyl)-3-oxo-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-fluoro-1-(4-nitrophenyl)-3-oxo-1H-indene-2-carboxylate Traditional Name: (2S,3R)-2-fluoro-1-keto-3-(4-nitrophenyl)indane-2-carboxylic acid methyl ester Formula: C17H12FNO5 MolecularWeight: 329.279283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)[C@@]1([C@@H](C2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C17H12FNO5/c1-24-16(21)17(18)14(10-6-8-11(9-7-10)19(22)23)12-4-2-3-5-13(12)15(17)20/h2-9,14H,1H3/t14-,17+/m1/s1