2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxylate

Systemtic Name: 2-(2-methoxyethyl)-3-oxidanylidene-1H-isoindole-4-carboxylate Openeye Name: 2-(2-methoxyethyl)-3-oxo-isoindoline-4-carboxylate CAS Name: 2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxylate IUPAC Name: 2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxylate Traditional Name: 3-keto-2-(2-methoxyethyl)isoindoline-4-carboxylate Formula: C12H12NO4- MolecularWeight: 234.22798

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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)/p-1