ethyl 4-(2-chloranyl-6-nitro-phenyl)-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-(2-chloranyl-6-nitro-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-(2-chloro-6-nitro-phenyl)-4-hydroxy-but-2-ynoate CAS Name: 4-(2-chloro-6-nitrophenyl)-4-hydroxy-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-6-nitrophenyl)-4-hydroxybut-2-ynoate Traditional Name: 4-(2-chloro-6-nitro-phenyl)-4-hydroxy-but-2-ynoic acid ethyl ester Formula: C12H10ClNO5 MolecularWeight: 283.6645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C1=C(C=CC=C1Cl)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C#CC(C1=C(C=CC=C1Cl)[N+](=O)[O-])O

InChI

InChI=1S/C12H10ClNO5/c1-2-19-11(16)7-6-10(15)12-8(13)4-3-5-9(12)14(17)18/h3-5,10,15H,2H2,1H3