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

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-azido-2-nitro-butanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-azido-2-nitro-butanoate CAS Name: 4-azido-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-azido-2-nitrobutanoate Traditional Name: 4-azido-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C19H28N4O5 MolecularWeight: 392.44942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5/c1-18(2,3)13-10-12(27-7)11-14(19(4,5)6)16(13)28-17(24)15(23(25)26)8-9-21-22-20/h10-11,15H,8-9H2,1-7H3