O1-acetamido O3-[2-(2-azanyl-5-chloranyl-phenyl)-2-oxidanylidene-ethyl] 2-ethylpropanedioate

Systemtic Name: O1-acetamido O3-[2-(2-azanyl-5-chloranyl-phenyl)-2-oxidanylidene-ethyl] 2-ethylpropanedioate Openeye Name: O1-acetamido O3-[2-(2-amino-5-chloro-phenyl)-2-oxo-ethyl] 2-ethylpropanedioate CAS Name: 2-ethylpropanedioic acid O1-acetamido ester O3-[2-(2-amino-5-chlorophenyl)-2-oxoethyl] ester IUPAC Name: 1-O-acetamido 3-O-[2-(2-amino-5-chlorophenyl)-2-oxoethyl] 2-ethylpropanedioate Traditional Name: 2-ethylmalonic acid O1-acetamido ester O3-[2-(2-amino-5-chloro-phenyl)-2-keto-ethyl] ester Formula: C15H17ClN2O6 MolecularWeight: 356.75828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)C1=C(C=CC(=C1)Cl)N)C(=O)ONC(=O)C

Isomeric SMILES

CCC(C(=O)OCC(=O)C1=C(C=CC(=C1)Cl)N)C(=O)ONC(=O)C

InChI

InChI=1S/C15H17ClN2O6/c1-3-10(15(22)24-18-8(2)19)14(21)23-7-13(20)11-6-9(16)4-5-12(11)17/h4-6,10H,3,7,17H2,1-2H3,(H,18,19)