4-[4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid

Systemtic Name: 4-[4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-3-yl]benzoic acid Openeye Name: 4-(4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]isoxazol-3-yl)benzoic acid CAS Name: 4-(4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]isoxazol-3-yl)benzoic acid IUPAC Name: 4-(4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-3-yl)benzoic acid Traditional Name: 4-(4,6-diketo-3a,6a-dihydropyrrol[3,4-d]isoxazol-3-yl)benzoic acid Formula: C12H8N2O5 MolecularWeight: 260.20232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC3C2C(=O)NC3=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NOC3C2C(=O)NC3=O)C(=O)O

InChI

InChI=1S/C12H8N2O5/c15-10-7-8(14-19-9(7)11(16)13-10)5-1-3-6(4-2-5)12(17)18/h1-4,7,9H,(H,17,18)(H,13,15,16)