tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate

Systemtic Name: tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate Openeye Name: tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate CAS Name: 2-cyano-3-(4-nitrophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-3-(4-nitrophenyl)propanoate Traditional Name: 2-cyano-3-(4-nitrophenyl)propionic acid tert-butyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4/c1-14(2,3)20-13(17)11(9-15)8-10-4-6-12(7-5-10)16(18)19/h4-7,11H,8H2,1-3H3