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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2CC=CC(C2C1=O)CC(=O)O

Isomeric SMILES

CN1C(=O)C2CC=CC(C2C1=O)CC(=O)O

InChI

InChI=1S/C11H13NO4/c1-12-10(15)7-4-2-3-6(5-8(13)14)9(7)11(12)16/h2-3,6-7,9H,4-5H2,1H3,(H,13,14)