[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H11FN2O7 MolecularWeight: 362.266143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11FN2O7/c1-9(15(20)10-2-4-12(17)5-3-10)26-16(21)11-6-13(18(22)23)8-14(7-11)19(24)25/h2-9H,1H3/t9-/m0/s1