3-isocyanato-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]benzoate

Systemtic Name: 3-isocyanato-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]benzoate Openeye Name: 2-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)-3-isocyanato-benzoate CAS Name: 2-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)-3-isocyanatobenzoate IUPAC Name: 2-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)-3-isocyanatobenzoate Traditional Name: 2-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)-3-isocyanato-benzoate Formula: C12H8N2O6 MolecularWeight: 276.20172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](C1=O)(C2=C(C=CC=C2N=C=O)C(=O)[O-])O

Isomeric SMILES

C1CC(=O)[N+](C1=O)(C2=C(C=CC=C2N=C=O)C(=O)[O-])O

InChI

InChI=1S/C12H8N2O6/c15-6-13-8-3-1-2-7(12(18)19)11(8)14(20)9(16)4-5-10(14)17/h1-3,20H,4-5H2