ethyl (2S)-2-(4-chlorophenyl)-3-nitro-2-oxidanyl-propanoate

Systemtic Name: ethyl (2S)-2-(4-chlorophenyl)-3-nitro-2-oxidanyl-propanoate Openeye Name: ethyl (2S)-2-(4-chlorophenyl)-2-hydroxy-3-nitro-propanoate CAS Name: (2S)-2-(4-chlorophenyl)-2-hydroxy-3-nitropropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-chlorophenyl)-2-hydroxy-3-nitropropanoate Traditional Name: (2S)-2-(4-chlorophenyl)-2-hydroxy-3-nitro-propionic acid ethyl ester Formula: C11H12ClNO5 MolecularWeight: 273.66968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+](=O)[O-])(C1=CC=C(C=C1)Cl)O

Isomeric SMILES

CCOC(=O)[C@@](C[N+](=O)[O-])(C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C11H12ClNO5/c1-2-18-10(14)11(15,7-13(16)17)8-3-5-9(12)6-4-8/h3-6,15H,2,7H2,1H3/t11-/m1/s1