diethyl 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanedioate; methane

Systemtic Name: diethyl 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanedioate; methane Openeye Name: diethyl 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanedioate; methane CAS Name: 2-[5-(4-chlorophenyl)-2-pyrazinyl]propanedioic acid diethyl ester; methane IUPAC Name: diethyl 2-[5-(4-chlorophenyl)pyrazin-2-yl]propanedioate; methane Traditional Name: 2-[5-(4-chlorophenyl)pyrazin-2-yl]malonic acid diethyl ester; methane Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

C.CCOC(=O)C(C1=NC=C(N=C1)C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

C.CCOC(=O)C(C1=NC=C(N=C1)C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C17H17ClN2O4.CH4/c1-3-23-16(21)15(17(22)24-4-2)14-10-19-13(9-20-14)11-5-7-12(18)8-6-11;/h5-10,15H,3-4H2,1-2H3;1H4