3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxylate

Systemtic Name: 3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxylate Openeye Name: 3-oxo-2-(3-pyridylmethyl)isoindoline-4-carboxylate CAS Name: 3-oxo-2-(3-pyridinylmethyl)-1H-isoindole-4-carboxylate IUPAC Name: 3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxylate Traditional Name: 3-keto-2-(3-pyridylmethyl)isoindoline-4-carboxylate Formula: C15H11N2O3- MolecularWeight: 267.25944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC(=C2C(=O)N1CC3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC(=C2C(=O)N1CC3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C15H12N2O3/c18-14-13-11(4-1-5-12(13)15(19)20)9-17(14)8-10-3-2-6-16-7-10/h1-7H,8-9H2,(H,19,20)/p-1