3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoyl]-6-nitro-5-phenylmethoxy-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoyl]-6-nitro-5-phenylmethoxy-1,3-benzoxazol-2-one Openeye Name: 5-benzyloxy-3-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]hexanoyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxohexyl]-6-nitro-5-phenylmethoxy-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoyl]-6-nitro-5-phenylmethoxy-1,3-benzoxazol-2-one Traditional Name: 5-benzoxy-3-[2-(2,4-ditert-amylphenoxy)hexanoyl]-6-nitro-1,3-benzoxazol-2-one Formula: C36H44N2O7 MolecularWeight: 616.74376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1C2=CC(=C(C=C2OC1=O)[N+](=O)[O-])OCC3=CC=CC=C3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCCCC(C(=O)N1C2=CC(=C(C=C2OC1=O)[N+](=O)[O-])OCC3=CC=CC=C3)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C36H44N2O7/c1-8-11-17-30(44-29-19-18-25(35(4,5)9-2)20-26(29)36(6,7)10-3)33(39)37-27-21-31(43-23-24-15-13-12-14-16-24)28(38(41)42)22-32(27)45-34(37)40/h12-16,18-22,30H,8-11,17,23H2,1-7H3