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

Systemtic Name: 4-[2-(4-methylphenyl)-5-(3-oxidanidyl-3-oxidanylidene-propyl)pyrrol-1-yl]benzoate Openeye Name: 4-[2-(3-oxido-3-oxo-propyl)-5-(p-tolyl)pyrrol-1-yl]benzoate CAS Name: 4-[2-(4-methylphenyl)-5-(3-oxido-3-oxopropyl)-1-pyrrolyl]benzoate IUPAC Name: 4-[2-(4-methylphenyl)-5-(3-oxido-3-oxopropyl)pyrrol-1-yl]benzoate Traditional Name: 4-[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=C(C=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

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

InChI

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