4-[[2-fluoranyl-4-(2-methoxy-2-oxidanylidene-ethoxy)-5-nitro-phenyl]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[2-fluoranyl-4-(2-methoxy-2-oxidanylidene-ethoxy)-5-nitro-phenyl]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[2-fluoro-4-(2-methoxy-2-oxo-ethoxy)-5-nitro-phenyl]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[2-fluoro-4-(2-methoxy-2-oxoethoxy)-5-nitrophenyl]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[2-fluoro-4-(2-methoxy-2-oxoethoxy)-5-nitrophenyl]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[2-fluoro-4-(2-keto-2-methoxy-ethoxy)-5-nitro-benzyl]piperidine-1-carboxylic acid Formula: C16H19FN2O7 MolecularWeight: 370.329663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C(=C1)F)CC2CCN(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)COC1=C(C=C(C(=C1)F)CC2CCN(CC2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19FN2O7/c1-25-15(20)9-26-14-8-12(17)11(7-13(14)19(23)24)6-10-2-4-18(5-3-10)16(21)22/h7-8,10H,2-6,9H2,1H3,(H,21,22)