ethyl 4-(5-methoxy-4-methyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-(5-methoxy-4-methyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-hydroxy-4-(5-methoxy-4-methyl-2-nitro-phenyl)but-2-ynoate CAS Name: 4-hydroxy-4-(5-methoxy-4-methyl-2-nitrophenyl)-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(5-methoxy-4-methyl-2-nitrophenyl)but-2-ynoate Traditional Name: 4-hydroxy-4-(5-methoxy-4-methyl-2-nitro-phenyl)but-2-ynoic acid ethyl ester Formula: C14H15NO6 MolecularWeight: 293.272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-4-21-14(17)6-5-12(16)10-8-13(20-3)9(2)7-11(10)15(18)19/h7-8,12,16H,4H2,1-3H3