ethyl 2-(5-chloranyl-2-nitro-phenyl)butanoate

Systemtic Name: ethyl 2-(5-chloranyl-2-nitro-phenyl)butanoate Openeye Name: ethyl 2-(5-chloro-2-nitro-phenyl)butanoate CAS Name: 2-(5-chloro-2-nitrophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(5-chloro-2-nitrophenyl)butanoate Traditional Name: 2-(5-chloro-2-nitro-phenyl)butyric acid ethyl ester Formula: C12H14ClNO4 MolecularWeight: 271.69686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO4/c1-3-9(12(15)18-4-2)10-7-8(13)5-6-11(10)14(16)17/h5-7,9H,3-4H2,1-2H3