3-pyridin-4-ylisochromen-1-one hydrochloride

Systemtic Name: 3-pyridin-4-ylisochromen-1-one hydrochloride Openeye Name: 3-(4-pyridyl)isochromen-1-one hydrochloride CAS Name: 3-pyridin-4-yl-2-benzopyran-1-one hydrochloride IUPAC Name: 3-pyridin-4-ylisochromen-1-one hydrochloride Traditional Name: 3-(4-pyridyl)isocoumarin hydrochloride Formula: C14H10ClNO2 MolecularWeight: 259.6877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(OC2=O)C3=CC=NC=C3.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(OC2=O)C3=CC=NC=C3.Cl

InChI

InChI=1S/C14H9NO2.ClH/c16-14-12-4-2-1-3-11(12)9-13(17-14)10-5-7-15-8-6-10;/h1-9H;1H