4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-ynoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]but-2-ynoic acid Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)but-2-ynoic acid CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-butynoic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)but-2-ynoic acid Traditional Name: 4-phthalimidobut-2-ynoic acid Formula: C12H7NO4 MolecularWeight: 229.18828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC(=O)O

InChI

InChI=1S/C12H7NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,7H2,(H,14,15)