ethyl 2-(2,5-ditert-butyl-4-oxidanyl-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: ethyl 2-(2,5-ditert-butyl-4-oxidanyl-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethanoate Openeye Name: ethyl 2-(2,5-ditert-butyl-4-hydroxy-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetate CAS Name: 2-[(2,5-ditert-butyl-4-hydroxyphenoxy)-oxomethoxy]-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2,5-ditert-butyl-4-hydroxyphenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetate Traditional Name: 2-(2,5-ditert-butyl-4-hydroxy-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid ethyl ester Formula: C26H31NO10 MolecularWeight: 517.52504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)OC3=CC(=C(C=C3C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)OC3=CC(=C(C=C3C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C26H31NO10/c1-8-33-23(29)22(14-9-20-21(35-13-34-20)12-17(14)27(31)32)37-24(30)36-19-11-15(25(2,3)4)18(28)10-16(19)26(5,6)7/h9-12,22,28H,8,13H2,1-7H3