(5-ethoxycarbonyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)methyl pyridine-4-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)methyl pyridine-4-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (5-carbethoxy-2-keto-4-imidazolin-4-yl)methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N1)COC(=O)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N1)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C13H13N3O5/c1-2-20-12(18)10-9(15-13(19)16-10)7-21-11(17)8-3-5-14-6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,19)