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

Systemtic Name: O1-ethyl O3-[(4-nitrophenyl)methyl] 2-ethylpropanedioate Openeye Name: O1-ethyl O3-[(4-nitrophenyl)methyl] 2-ethylpropanedioate CAS Name: 2-ethylpropanedioic acid O1-ethyl ester O3-[(4-nitrophenyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(4-nitrophenyl)methyl] 2-ethylpropanedioate Traditional Name: 2-ethylmalonic acid O1-ethyl ester O3-(4-nitrobenzyl) ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OCC)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6/c1-3-12(13(16)20-4-2)14(17)21-9-10-5-7-11(8-6-10)15(18)19/h5-8,12H,3-4,9H2,1-2H3