tert-butyl 2-cyano-2-(4-nitrophenyl)ethanoate

Systemtic Name: tert-butyl 2-cyano-2-(4-nitrophenyl)ethanoate Openeye Name: tert-butyl 2-cyano-2-(4-nitrophenyl)acetate CAS Name: 2-cyano-2-(4-nitrophenyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-(4-nitrophenyl)acetate Traditional Name: 2-cyano-2-(4-nitrophenyl)acetic acid tert-butyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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