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diethyl 2-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]propanedioate

diethyl 2-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name:diethyl 2-[(1R)-1-(4-methylphenyl)-2-nitro-ethyl]propanedioate
Openeye Name:diethyl 2-[(1R)-2-nitro-1-(p-tolyl)ethyl]propanedioate
CAS Name:2-[(1R)-1-(4-methylphenyl)-2-nitroethyl]propanedioic acid diethyl ester
IUPAC Name:diethyl 2-[(1R)-1-(4-methylphenyl)-2-nitroethyl]propanedioate
Traditional Name:2-[(1R)-2-nitro-1-(p-tolyl)ethyl]malonic acid diethyl ester
Formula: C16H21NO6
MolecularWeight: 323.34104
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCOC(=O)C([C@@H](C[N+](=O)[O-])C1=CC=C(C=C1)C)C(=O)OCC


InChI

InChI=1S/C16H21NO6/c1-4-22-15(18)14(16(19)23-5-2)13(10-17(20)21)12-8-6-11(3)7-9-12/h6-9,13-14H,4-5,10H2,1-3H3/t13-/m0/s1


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