diethyl 2-[(4-nitrophenyl)methyl]-2-(phenylmethoxymethyl)propanedioate

Systemtic Name: diethyl 2-[(4-nitrophenyl)methyl]-2-(phenylmethoxymethyl)propanedioate Openeye Name: diethyl 2-(benzyloxymethyl)-2-[(4-nitrophenyl)methyl]propanedioate CAS Name: 2-[(4-nitrophenyl)methyl]-2-(phenylmethoxymethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-nitrophenyl)methyl]-2-(phenylmethoxymethyl)propanedioate Traditional Name: 2-(benzoxymethyl)-2-(4-nitrobenzyl)malonic acid diethyl ester Formula: C22H25NO7 MolecularWeight: 415.4364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(COCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(COCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H25NO7/c1-3-29-20(24)22(21(25)30-4-2,16-28-15-18-8-6-5-7-9-18)14-17-10-12-19(13-11-17)23(26)27/h5-13H,3-4,14-16H2,1-2H3