3-(3-azanylpropoxy)-4-chloranyl-isochromen-1-one hydrochloride

Systemtic Name: 3-(3-azanylpropoxy)-4-chloranyl-isochromen-1-one hydrochloride Openeye Name: 3-(3-aminopropoxy)-4-chloro-isochromen-1-one hydrochloride CAS Name: 3-(3-aminopropoxy)-4-chloro-2-benzopyran-1-one hydrochloride IUPAC Name: 3-(3-aminopropoxy)-4-chloroisochromen-1-one hydrochloride Traditional Name: 3-(3-aminopropoxy)-4-chloro-isocoumarin hydrochloride Formula: C12H13Cl2NO3 MolecularWeight: 290.14252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)OCCCN)Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)OCCCN)Cl.Cl

InChI

InChI=1S/C12H12ClNO3.ClH/c13-10-8-4-1-2-5-9(8)11(15)17-12(10)16-7-3-6-14;/h1-2,4-5H,3,6-7,14H2;1H