3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]-3H-2-benzofuran-1-one

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylamino]-3H-2-benzofuran-1-one Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3H-isobenzofuran-1-one CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3H-isobenzofuran-1-one IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]-3H-2-benzofuran-1-one Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylamino]phthalide Formula: C16H12ClNO4 MolecularWeight: 317.72378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CNC3C4=CC=CC=C4C(=O)O3)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CNC3C4=CC=CC=C4C(=O)O3)Cl

InChI

InChI=1S/C16H12ClNO4/c17-12-5-9(6-13-14(12)21-8-20-13)7-18-15-10-3-1-2-4-11(10)16(19)22-15/h1-6,15,18H,7-8H2