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

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-(diethylamino)-2-nitro-butanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-(diethylamino)-2-nitro-butanoate CAS Name: 4-(diethylamino)-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-(diethylamino)-2-nitrobutanoate Traditional Name: 4-(diethylamino)-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C23H38N2O5 MolecularWeight: 422.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H38N2O5/c1-10-24(11-2)13-12-19(25(27)28)21(26)30-20-17(22(3,4)5)14-16(29-9)15-18(20)23(6,7)8/h14-15,19H,10-13H2,1-9H3