2-azanyl-3-[2-(fluoranylmethyl)-3-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(fluoranylmethyl)-3-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[2-(fluoromethyl)-3-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[2-(fluoromethyl)-3-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid IUPAC Name: 2-amino-3-[2-(fluoromethyl)-3-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[2-(fluoromethyl)-3-(4-nitrophenyl)sulfinyl-4-imidazolin-4-yl]propionic acid Formula: C13H15FN4O5S MolecularWeight: 358.345403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)N2C(NC=C2CC(C(=O)O)N)CF

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)N2C(NC=C2CC(C(=O)O)N)CF

InChI

InChI=1S/C13H15FN4O5S/c14-6-12-16-7-9(5-11(15)13(19)20)17(12)24(23)10-3-1-8(2-4-10)18(21)22/h1-4,7,11-12,16H,5-6,15H2,(H,19,20)