ditert-butyl 2,2-bis[(3,4,5-trimethoxy-2-nitro-phenyl)methyl]propanedioate

Systemtic Name: ditert-butyl 2,2-bis[(3,4,5-trimethoxy-2-nitro-phenyl)methyl]propanedioate Openeye Name: ditert-butyl 2,2-bis[(3,4,5-trimethoxy-2-nitro-phenyl)methyl]propanedioate CAS Name: 2,2-bis[(3,4,5-trimethoxy-2-nitrophenyl)methyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,2-bis[(3,4,5-trimethoxy-2-nitrophenyl)methyl]propanedioate Traditional Name: 2,2-bis(3,4,5-trimethoxy-2-nitro-benzyl)malonic acid ditert-butyl ester Formula: C31H42N2O14 MolecularWeight: 666.67018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C(=C1[N+](=O)[O-])OC)OC)OC)(CC2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC(=C(C(=C1[N+](=O)[O-])OC)OC)OC)(CC2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H42N2O14/c1-29(2,3)46-27(34)31(28(35)47-30(4,5)6,15-17-13-19(40-7)23(42-9)25(44-11)21(17)32(36)37)16-18-14-20(41-8)24(43-10)26(45-12)22(18)33(38)39/h13-14H,15-16H2,1-12H3