2-(pyridin-4-ylmethyl)isoindole-1,3-dione dihydrate

Systemtic Name: 2-(pyridin-4-ylmethyl)isoindole-1,3-dione dihydrate Openeye Name: 2-(4-pyridylmethyl)isoindoline-1,3-dione dihydrate CAS Name: 2-(pyridin-4-ylmethyl)isoindole-1,3-dione dihydrate IUPAC Name: 2-(pyridin-4-ylmethyl)isoindole-1,3-dione dihydrate Traditional Name: 2-(4-pyridylmethyl)isoindoline-1,3-quinone dihydrate Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=NC=C3.O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=NC=C3.O.O

InChI

InChI=1S/C14H10N2O2.2H2O/c17-13-11-3-1-2-4-12(11)14(18)16(13)9-10-5-7-15-8-6-10;;/h1-8H,9H2;2*1H2