sodium 4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate

Systemtic Name: sodium 4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate Openeye Name: sodium 4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate CAS Name: sodium 4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate IUPAC Name: sodium 4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate Traditional Name: sodium 4-ethyl-5-phenyl-1H-pyrrole-2-carboxylate Formula: C13H12NNaO2 MolecularWeight: 237.22965

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1)C(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCC1=C(NC(=C1)C(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H13NO2.Na/c1-2-9-8-11(13(15)16)14-12(9)10-6-4-3-5-7-10;/h3-8,14H,2H2,1H3,(H,15,16);/q;+1/p-1