4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-3-pyrrol-1-yl-butanoic acid

Systemtic Name: 4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-3-pyrrol-1-yl-butanoic acid Openeye Name: 4-ethoxy-3-ethoxycarbonyl-4-oxo-3-pyrrol-1-yl-butanoic acid CAS Name: 4-ethoxy-3-ethoxycarbonyl-4-oxo-3-(1-pyrrolyl)butanoic acid IUPAC Name: 4-ethoxy-3-ethoxycarbonyl-4-oxo-3-pyrrol-1-ylbutanoic acid Traditional Name: 3-carbethoxy-4-ethoxy-4-keto-3-pyrrol-1-yl-butyric acid Formula: C13H17NO6 MolecularWeight: 283.27718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)O)(C(=O)OCC)N1C=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(=O)O)(C(=O)OCC)N1C=CC=C1

InChI

InChI=1S/C13H17NO6/c1-3-19-11(17)13(9-10(15)16,12(18)20-4-2)14-7-5-6-8-14/h5-8H,3-4,9H2,1-2H3,(H,15,16)