dimethyl 2-(5-chloranylpyrimidin-4-yl)-5-methyl-1H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(5-chloranylpyrimidin-4-yl)-5-methyl-1H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(5-chloropyrimidin-4-yl)-5-methyl-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-(5-chloro-4-pyrimidinyl)-5-methyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(5-chloropyrimidin-4-yl)-5-methyl-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-(5-chloropyrimidin-4-yl)-5-methyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C2=NC=NC=C2Cl)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)C2=NC=NC=C2Cl)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H12ClN3O4/c1-6-8(12(18)20-2)9(13(19)21-3)11(17-6)10-7(14)4-15-5-16-10/h4-5,17H,1-3H3