2-[[3-(4-fluorophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: 2-[[3-(4-fluorophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-propanoate Openeye Name: 2-[[3-(4-fluorophenyl)-3-oxo-propyl]ammonio]-3-hydroxy-propanoate CAS Name: 2-[[3-(4-fluorophenyl)-3-oxopropyl]ammonio]-3-hydroxypropanoate IUPAC Name: 2-[[3-(4-fluorophenyl)-3-oxopropyl]azaniumyl]-3-hydroxypropanoate Traditional Name: 2-[[3-(4-fluorophenyl)-3-keto-propyl]ammonio]-3-hydroxy-propionate Formula: C12H14FNO4 MolecularWeight: 255.242263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC[NH2+]C(CO)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC[NH2+]C(CO)C(=O)[O-])F

InChI

InChI=1S/C12H14FNO4/c13-9-3-1-8(2-4-9)11(16)5-6-14-10(7-15)12(17)18/h1-4,10,14-15H,5-7H2,(H,17,18)