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

Systemtic Name: 3-(3-azanylpropoxy)-4-chloranyl-isochromen-1-one Openeye Name: 3-(3-aminopropoxy)-4-chloro-isochromen-1-one CAS Name: 3-(3-aminopropoxy)-4-chloro-2-benzopyran-1-one IUPAC Name: 3-(3-aminopropoxy)-4-chloroisochromen-1-one Traditional Name: 3-(3-aminopropoxy)-4-chloro-isocoumarin Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/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