O1-ethyl O3-(phenylmethyl) 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate

Systemtic Name: O1-ethyl O3-(phenylmethyl) 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate Openeye Name: O1-benzyl O3-ethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate CAS Name: 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioic acid O1-ethyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-ethyl 2-ethyl-2-[(4-nitrophenyl)methyl]propanedioate Traditional Name: 2-ethyl-2-(4-nitrobenzyl)malonic acid O1-benzyl ester O3-ethyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OCC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO6/c1-3-21(19(23)27-4-2,14-16-10-12-18(13-11-16)22(25)26)20(24)28-15-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3