3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-5-phenyl-pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-(3-oxidanidyl-3-oxidanylidene-propyl)-5-phenyl-pyrrol-1-yl]benzoate Openeye Name: 3-[2-(3-oxido-3-oxo-propyl)-5-phenyl-pyrrol-1-yl]benzoate CAS Name: 3-[2-(3-oxido-3-oxopropyl)-5-phenyl-1-pyrrolyl]benzoate IUPAC Name: 3-[2-(3-oxido-3-oxopropyl)-5-phenylpyrrol-1-yl]benzoate Traditional Name: 3-[2-(3-keto-3-oxido-propyl)-5-phenyl-pyrrol-1-yl]benzoate Formula: C20H15NO4-2 MolecularWeight: 333.3374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C20H17NO4/c22-19(23)12-10-16-9-11-18(14-5-2-1-3-6-14)21(16)17-8-4-7-15(13-17)20(24)25/h1-9,11,13H,10,12H2,(H,22,23)(H,24,25)/p-2