3-[2-(4-fluorophenyl)-5-(3-oxidanidyl-3-oxidanylidene-propyl)pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-(4-fluorophenyl)-5-(3-oxidanidyl-3-oxidanylidene-propyl)pyrrol-1-yl]benzoate Openeye Name: 3-[2-(4-fluorophenyl)-5-(3-oxido-3-oxo-propyl)pyrrol-1-yl]benzoate CAS Name: 3-[2-(4-fluorophenyl)-5-(3-oxido-3-oxopropyl)-1-pyrrolyl]benzoate IUPAC Name: 3-[2-(4-fluorophenyl)-5-(3-oxido-3-oxopropyl)pyrrol-1-yl]benzoate Traditional Name: 3-[2-(4-fluorophenyl)-5-(3-keto-3-oxido-propyl)pyrrol-1-yl]benzoate Formula: C20H14FNO4-2 MolecularWeight: 351.327863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H16FNO4/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(23)24)22(18)17-3-1-2-14(12-17)20(25)26/h1-8,10,12H,9,11H2,(H,23,24)(H,25,26)/p-2