1-methyl-3-(pyridin-4-ylmethoxy)pyrrole-2,4-dicarboxylic acid

Systemtic Name: 1-methyl-3-(pyridin-4-ylmethoxy)pyrrole-2,4-dicarboxylic acid Openeye Name: 1-methyl-3-(4-pyridylmethoxy)pyrrole-2,4-dicarboxylic acid CAS Name: 1-methyl-3-(pyridin-4-ylmethoxy)pyrrole-2,4-dicarboxylic acid IUPAC Name: 1-methyl-3-(pyridin-4-ylmethoxy)pyrrole-2,4-dicarboxylic acid Traditional Name: 1-methyl-3-(4-pyridylmethoxy)pyrrole-2,4-dicarboxylic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C(=O)O)OCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

CN1C=C(C(=C1C(=O)O)OCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-15-6-9(12(16)17)11(10(15)13(18)19)20-7-8-2-4-14-5-3-8/h2-6H,7H2,1H3,(H,16,17)(H,18,19)