3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoic acid Openeye Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoic acid CAS Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoic acid IUPAC Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)propionic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CCC(=O)O

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CCC(=O)O

InChI

InChI=1S/C11H13NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h1-2,7-8H,3-6H2,(H,13,14)