diethyl 2-[(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)carbonylamino]propanedioate

Systemtic Name: diethyl 2-[(4-chloranyl-2,3,5,6-tetradeuterio-phenyl)carbonylamino]propanedioate Openeye Name: diethyl 2-[(4-chloro-2,3,5,6-tetradeuterio-benzoyl)amino]propanedioate CAS Name: 2-[[(4-chloro-2,3,5,6-tetradeuteriophenyl)-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-chloro-2,3,5,6-tetradeuteriobenzoyl)amino]propanedioate Traditional Name: 2-[(4-chloro-2,3,5,6-tetradeuterio-benzoyl)amino]malonic acid diethyl ester Formula: C14H16ClNO5 MolecularWeight: 317.758187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C(=O)NC(C(=O)OCC)C(=O)OCC)[2H])[2H])Cl)[2H]

InChI

InChI=1S/C14H16ClNO5/c1-3-20-13(18)11(14(19)21-4-2)16-12(17)9-5-7-10(15)8-6-9/h5-8,11H,3-4H2,1-2H3,(H,16,17)/i5D,6D,7D,8D