4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-carbethoxy-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C10H13NO4 MolecularWeight: 211.21452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O)C

InChI

InChI=1S/C10H13NO4/c1-4-15-10(14)7-5(2)8(9(12)13)11-6(7)3/h11H,4H2,1-3H3,(H,12,13)