4-(2-phenylethanoyl)-1H-pyrrole-2-carboxylate

Systemtic Name: 4-(2-phenylethanoyl)-1H-pyrrole-2-carboxylate Openeye Name: 4-(2-phenylacetyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(1-oxo-2-phenylethyl)-1H-pyrrole-2-carboxylate IUPAC Name: 4-(2-phenylacetyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-phenylacetyl)-1H-pyrrole-2-carboxylate Formula: C13H10NO3- MolecularWeight: 228.2234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H11NO3/c15-12(6-9-4-2-1-3-5-9)10-7-11(13(16)17)14-8-10/h1-5,7-8,14H,6H2,(H,16,17)/p-1