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

Systemtic Name: 3-[2-(4-methylphenyl)-5-(3-oxidanidyl-3-oxidanylidene-propyl)pyrrol-1-yl]benzoate Openeye Name: 3-[2-(3-oxido-3-oxo-propyl)-5-(p-tolyl)pyrrol-1-yl]benzoate CAS Name: 3-[2-(4-methylphenyl)-5-(3-oxido-3-oxopropyl)-1-pyrrolyl]benzoate IUPAC Name: 3-[2-(4-methylphenyl)-5-(3-oxido-3-oxopropyl)pyrrol-1-yl]benzoate Traditional Name: 3-[2-(3-keto-3-oxido-propyl)-5-(p-tolyl)pyrrol-1-yl]benzoate Formula: C21H17NO4-2 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C21H19NO4/c1-14-5-7-15(8-6-14)19-11-9-17(10-12-20(23)24)22(19)18-4-2-3-16(13-18)21(25)26/h2-9,11,13H,10,12H2,1H3,(H,23,24)(H,25,26)/p-2