(2,6-ditert-butyl-4-methoxy-phenyl) 4-cyano-2-nitro-butanoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-cyano-2-nitro-butanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-cyano-2-nitro-butanoate CAS Name: 4-cyano-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-cyano-2-nitrobutanoate Traditional Name: 4-cyano-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCC#N)[N+](=O)[O-])C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCC#N)[N+](=O)[O-])C(C)(C)C)OC

InChI

InChI=1S/C20H28N2O5/c1-19(2,3)14-11-13(26-7)12-15(20(4,5)6)17(14)27-18(23)16(22(24)25)9-8-10-21/h11-12,16H,8-9H2,1-7H3