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

Systemtic Name: 3-[2-(4-methoxyphenyl)-5-(3-oxidanidyl-3-oxidanylidene-propyl)pyrrol-1-yl]benzoate Openeye Name: 3-[2-(4-methoxyphenyl)-5-(3-oxido-3-oxo-propyl)pyrrol-1-yl]benzoate CAS Name: 3-[2-(4-methoxyphenyl)-5-(3-oxido-3-oxopropyl)-1-pyrrolyl]benzoate IUPAC Name: 3-[2-(4-methoxyphenyl)-5-(3-oxido-3-oxopropyl)pyrrol-1-yl]benzoate Traditional Name: 3-[2-(3-keto-3-oxido-propyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoate Formula: C21H17NO5-2 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC(=C3)C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C21H19NO5/c1-27-18-9-5-14(6-10-18)19-11-7-16(8-12-20(23)24)22(19)17-4-2-3-15(13-17)21(25)26/h2-7,9-11,13H,8,12H2,1H3,(H,23,24)(H,25,26)/p-2