diethyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate

Systemtic Name: diethyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate Openeye Name: diethyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate CAS Name: 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate Traditional Name: 2-ethyl-2-(3-nitrobenzyl)malonic acid diethyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6/c1-4-16(14(18)22-5-2,15(19)23-6-3)11-12-8-7-9-13(10-12)17(20)21/h7-10H,4-6,11H2,1-3H3