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

Systemtic Name: methyl 2-(2,5-ditert-butyl-4-oxidanyl-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C25H29NO10 MolecularWeight: 503.49846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1OC(=O)OC(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1OC(=O)OC(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC)C(C)(C)C)O

InChI

InChI=1S/C25H29NO10/c1-24(2,3)14-10-18(15(9-17(14)27)25(4,5)6)35-23(29)36-21(22(28)32-7)13-8-19-20(34-12-33-19)11-16(13)26(30)31/h8-11,21,27H,12H2,1-7H3