[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] pyridine-3-carboxylate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C15H16N2O3 MolecularWeight: 272.29914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H16N2O3/c1-10-7-13(11(2)17(10)3)14(18)9-20-15(19)12-5-4-6-16-8-12/h4-8H,9H2,1-3H3