3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoic acid

Systemtic Name: 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoic acid Openeye Name: 3-(1-methylene-3-oxo-isoindolin-2-yl)propanoic acid CAS Name: 3-(1-methylene-3-oxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(1-methylidene-3-oxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1-keto-3-methylene-isoindolin-2-yl)propionic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)O

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CCC(=O)O

InChI

InChI=1S/C12H11NO3/c1-8-9-4-2-3-5-10(9)12(16)13(8)7-6-11(14)15/h2-5H,1,6-7H2,(H,14,15)