3-tert-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-tert-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3-tert-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-tert-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-tert-butyl-5-ethoxycarbonyl-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-tert-butyl-5-carbethoxy-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C13H19NO4/c1-6-18-12(17)9-7(2)8(13(3,4)5)10(14-9)11(15)16/h14H,6H2,1-5H3,(H,15,16)