3-oxidanylidene-1,2,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid

Systemtic Name: 3-oxidanylidene-1,2,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid Openeye Name: 3-oxo-1,2,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid CAS Name: 3-oxo-1,2,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid IUPAC Name: 3-oxo-1,2,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid Traditional Name: 3-keto-1,2,3a,4,5,7a-hexahydroisoindole-4-carboxylic acid Formula: C9H11NO3 MolecularWeight: 181.18854

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2CNC(=O)C2C1C(=O)O

Isomeric SMILES

C1C=CC2CNC(=O)C2C1C(=O)O

InChI

InChI=1S/C9H11NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-2,5-7H,3-4H2,(H,10,11)(H,12,13)