4-acetyloxy-1-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-acetyloxy-1-phenyl-pyrrole-3-carboxylic acid Openeye Name: 4-acetoxy-1-phenyl-pyrrole-3-carboxylic acid CAS Name: 4-acetyloxy-1-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 4-acetyloxy-1-phenylpyrrole-3-carboxylic acid Traditional Name: 4-acetoxy-1-phenyl-pyrrole-3-carboxylic acid Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CN(C=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CN(C=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H11NO4/c1-9(15)18-12-8-14(7-11(12)13(16)17)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)