ethyl (2S)-2-(5-chloranyl-2,4-dinitro-phenyl)-2-cyano-ethanoate

Systemtic Name: ethyl (2S)-2-(5-chloranyl-2,4-dinitro-phenyl)-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-(5-chloro-2,4-dinitro-phenyl)-2-cyano-acetate CAS Name: (2S)-2-(5-chloro-2,4-dinitrophenyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(5-chloro-2,4-dinitrophenyl)-2-cyanoacetate Traditional Name: (2S)-2-(5-chloro-2,4-dinitro-phenyl)-2-cyano-acetic acid ethyl ester Formula: C11H8ClN3O6 MolecularWeight: 313.65072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClN3O6/c1-2-21-11(16)7(5-13)6-3-8(12)10(15(19)20)4-9(6)14(17)18/h3-4,7H,2H2,1H3/t7-/m1/s1