(1R,2R,3S)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropane-1-carboxylate

Systemtic Name: (1R,2R,3S)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropane-1-carboxylate Openeye Name: (1R,2R,3S)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropanecarboxylate CAS Name: (1R,2R,3S)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)-1-cyclopropanecarboxylate IUPAC Name: (1R,2R,3S)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropane-1-carboxylate Traditional Name: (1R,2R,3S)-2-(methylcarbamoyl)-3-(4-phosphonooxyphenyl)cyclopropanecarboxylate Formula: C12H13NO7P- MolecularWeight: 314.207881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C1C(=O)[O-])C2=CC=C(C=C2)OP(=O)(O)O

Isomeric SMILES

CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)[O-])C2=CC=C(C=C2)OP(=O)(O)O

InChI

InChI=1S/C12H14NO7P/c1-13-11(14)9-8(10(9)12(15)16)6-2-4-7(5-3-6)20-21(17,18)19/h2-5,8-10H,1H3,(H,13,14)(H,15,16)(H2,17,18,19)/p-1/t8-,9+,10+/m0/s1