tert-butyl 4-(2-nitro-6-phenylmethoxycarbonyl-phenyl)carbonyl-3,5-bis(phenylmethoxy)benzoate

Systemtic Name: tert-butyl 4-(2-nitro-6-phenylmethoxycarbonyl-phenyl)carbonyl-3,5-bis(phenylmethoxy)benzoate Openeye Name: tert-butyl 3,5-dibenzyloxy-4-(2-benzyloxycarbonyl-6-nitro-benzoyl)benzoate CAS Name: 4-[(2-nitro-6-phenylmethoxycarbonylphenyl)-oxomethyl]-3,5-bis(phenylmethoxy)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-nitro-6-phenylmethoxycarbonylbenzoyl)-3,5-bis(phenylmethoxy)benzoate Traditional Name: 3,5-dibenzoxy-4-(2-carbobenzoxy-6-nitro-benzoyl)benzoic acid tert-butyl ester Formula: C40H35NO9 MolecularWeight: 673.7072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C40H35NO9/c1-40(2,3)50-38(43)30-22-33(47-24-27-14-7-4-8-15-27)36(34(23-30)48-25-28-16-9-5-10-17-28)37(42)35-31(20-13-21-32(35)41(45)46)39(44)49-26-29-18-11-6-12-19-29/h4-23H,24-26H2,1-3H3