4-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine-3-carboxylic acid Openeye Name: 4-[(E)-2-(1-methylpyrrol-2-yl)vinyl]pyridine-3-carboxylic acid CAS Name: 4-[(E)-2-(1-methyl-2-pyrrolyl)ethenyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridine-3-carboxylic acid Traditional Name: 4-[(E)-2-(1-methylpyrrol-2-yl)vinyl]nicotinic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=CC2=C(C=NC=C2)C(=O)O

Isomeric SMILES

CN1C=CC=C1/C=C/C2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O2/c1-15-8-2-3-11(15)5-4-10-6-7-14-9-12(10)13(16)17/h2-9H,1H3,(H,16,17)/b5-4+