2-(3-pyridin-4-ylpyrrol-1-yl)butanedioic acid

Systemtic Name: 2-(3-pyridin-4-ylpyrrol-1-yl)butanedioic acid Openeye Name: 2-[3-(4-pyridyl)pyrrol-1-yl]butanedioic acid CAS Name: 2-(3-pyridin-4-yl-1-pyrrolyl)butanedioic acid IUPAC Name: 2-(3-pyridin-4-ylpyrrol-1-yl)butanedioic acid Traditional Name: 2-[3-(4-pyridyl)pyrrol-1-yl]succinic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CN(C=C2)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=CN(C=C2)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H12N2O4/c16-12(17)7-11(13(18)19)15-6-3-10(8-15)9-1-4-14-5-2-9/h1-6,8,11H,7H2,(H,16,17)(H,18,19)