4-[2,4-bis(2-methylbutan-2-yl)phenoxy]pyrrolidin-2-one; 2-methoxy-2-(4-nitrophenoxy)-3-oxidanylidene-N,3-diphenyl-propanamide

Systemtic Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]pyrrolidin-2-one; 2-methoxy-2-(4-nitrophenoxy)-3-oxidanylidene-N,3-diphenyl-propanamide Openeye Name: 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]pyrrolidin-2-one; 2-methoxy-2-(4-nitrophenoxy)-3-oxo-N,3-diphenyl-propanamide CAS Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-pyrrolidinone; 2-methoxy-2-(4-nitrophenoxy)-3-oxo-N,3-diphenylpropanamide IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]pyrrolidin-2-one; 2-methoxy-2-(4-nitrophenoxy)-3-oxo-N,3-diphenylpropanamide Traditional Name: 4-(2,4-ditert-amylphenoxy)-2-pyrrolidone; 3-keto-2-methoxy-2-(4-nitrophenoxy)-N,3-diphenyl-propionamide Formula: C42H49N3O8 MolecularWeight: 723.85376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2CC(=O)NC2)C(C)(C)CC.COC(C(=O)C1=CC=CC=C1)(C(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2CC(=O)NC2)C(C)(C)CC.COC(C(=O)C1=CC=CC=C1)(C(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6.C20H31NO2/c1-29-22(20(25)16-8-4-2-5-9-16,21(26)23-17-10-6-3-7-11-17)30-19-14-12-18(13-15-19)24(27)28;1-7-19(3,4)14-9-10-17(16(11-14)20(5,6)8-2)23-15-12-18(22)21-13-15/h2-15H,1H3,(H,23,26);9-11,15H,7-8,12-13H2,1-6H3,(H,21,22)