[2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]methyl 2-phenylethanoate chloride

Systemtic Name: [2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]methyl 2-phenylethanoate chloride Openeye Name: (2,5-dioxopyrrol-1-ium-1-yl)methyl 2-phenylacetate chloride CAS Name: 2-phenylacetic acid (2,5-dioxo-1-pyrrol-1-iumyl)methyl ester chloride IUPAC Name: (2,5-dioxopyrrol-1-ium-1-yl)methyl 2-phenylacetate chloride Traditional Name: 2-phenylacetic acid (2,5-diketo-3-pyrrolin-1-ium-1-yl)methyl ester chloride Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OC[NH+]2C(=O)C=CC2=O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OC[NH+]2C(=O)C=CC2=O.[Cl-]

InChI

InChI=1S/C13H11NO4.ClH/c15-11-6-7-12(16)14(11)9-18-13(17)8-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H