4-methoxy-2-(pyridin-4-ylamino)isoindole-1,3-dione hydrate hydrochloride

Systemtic Name: 4-methoxy-2-(pyridin-4-ylamino)isoindole-1,3-dione hydrate hydrochloride Openeye Name: 4-methoxy-2-(4-pyridylamino)isoindoline-1,3-dione hydrate hydrochloride CAS Name: 4-methoxy-2-(pyridin-4-ylamino)isoindole-1,3-dione hydrate hydrochloride IUPAC Name: 4-methoxy-2-(pyridin-4-ylamino)isoindole-1,3-dione hydrate hydrochloride Traditional Name: 4-methoxy-2-(4-pyridylamino)isoindoline-1,3-quinone hydrate hydrochloride Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C2=O)NC3=CC=NC=C3.O.Cl

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C2=O)NC3=CC=NC=C3.O.Cl

InChI

InChI=1S/C14H11N3O3.ClH.H2O/c1-20-11-4-2-3-10-12(11)14(19)17(13(10)18)16-9-5-7-15-8-6-9;;/h2-8H,1H3,(H,15,16);1H;1H2