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

Systemtic Name: 3-isocyanato-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]benzoic acid Openeye Name: 2-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)-3-isocyanato-benzoic acid CAS Name: 2-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)-3-isocyanatobenzoic acid IUPAC Name: 2-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)-3-isocyanatobenzoic acid Traditional Name: 2-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)-3-isocyanato-benzoic acid Formula: C12H9N2O6+ MolecularWeight: 277.20966

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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/p+1