4-(3-ethoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3-ethoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-ethoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-ethoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3-ethoxy-3-keto-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC(=C1C)C(=O)O)C

Isomeric SMILES

CCOC(=O)CCC1=C(NC(=C1C)C(=O)O)C

InChI

InChI=1S/C12H17NO4/c1-4-17-10(14)6-5-9-7(2)11(12(15)16)13-8(9)3/h13H,4-6H2,1-3H3,(H,15,16)