2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid

Systemtic Name: 2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxylic acid Openeye Name: 2-(2-methoxyethyl)-3-oxo-isoindoline-4-carboxylic acid CAS Name: 2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxylic acid IUPAC Name: 2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxylic acid Traditional Name: 3-keto-2-(2-methoxyethyl)isoindoline-4-carboxylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC2=CC=CC(=C2C1=O)C(=O)O

Isomeric SMILES

COCCN1CC2=CC=CC(=C2C1=O)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-17-6-5-13-7-8-3-2-4-9(12(15)16)10(8)11(13)14/h2-4H,5-7H2,1H3,(H,15,16)