tert-butyl 2-(5-cyano-2-nitro-phenyl)ethanoate

Systemtic Name: tert-butyl 2-(5-cyano-2-nitro-phenyl)ethanoate Openeye Name: tert-butyl 2-(5-cyano-2-nitro-phenyl)acetate CAS Name: 2-(5-cyano-2-nitrophenyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-cyano-2-nitrophenyl)acetate Traditional Name: 2-(5-cyano-2-nitro-phenyl)acetic acid tert-butyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-13(2,3)19-12(16)7-10-6-9(8-14)4-5-11(10)15(17)18/h4-6H,7H2,1-3H3