3-[5-(4-methylphenyl)-1-(2-oxidanidyl-2-oxidanylidene-ethyl)pyrrol-2-yl]propanoate

Systemtic Name: 3-[5-(4-methylphenyl)-1-(2-oxidanidyl-2-oxidanylidene-ethyl)pyrrol-2-yl]propanoate Openeye Name: 3-[1-(2-oxido-2-oxo-ethyl)-5-(p-tolyl)pyrrol-2-yl]propanoate CAS Name: 3-[5-(4-methylphenyl)-1-(2-oxido-2-oxoethyl)-2-pyrrolyl]propanoate IUPAC Name: 3-[5-(4-methylphenyl)-1-(2-oxido-2-oxoethyl)pyrrol-2-yl]propanoate Traditional Name: 3-[1-(2-keto-2-oxido-ethyl)-5-(p-tolyl)pyrrol-2-yl]propionate Formula: C16H15NO4-2 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2CC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2CC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C16H17NO4/c1-11-2-4-12(5-3-11)14-8-6-13(7-9-15(18)19)17(14)10-16(20)21/h2-6,8H,7,9-10H2,1H3,(H,18,19)(H,20,21)/p-2