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

Systemtic Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-carbomethoxy-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C9H11NO4 MolecularWeight: 197.18794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)O

InChI

InChI=1S/C9H11NO4/c1-4-6(9(13)14-3)5(2)10-7(4)8(11)12/h10H,1-3H3,(H,11,12)