(3R)-3-[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[(3,5-dibromopyridin-1-ium-2-yl)amino]-3H-isobenzofuran-1-one CAS Name: (3R)-3-[(3,5-dibromo-2-pyridin-1-iumyl)amino]-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[(3,5-dibromopyridin-1-ium-2-yl)amino]-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[(3,5-dibromopyridin-1-ium-2-yl)amino]phthalide Formula: C13H9Br2N2O2+ MolecularWeight: 385.03076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC3=C(C=C(C=[NH+]3)Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](OC2=O)NC3=C(C=C(C=[NH+]3)Br)Br

InChI

InChI=1S/C13H8Br2N2O2/c14-7-5-10(15)11(16-6-7)17-12-8-3-1-2-4-9(8)13(18)19-12/h1-6,12H,(H,16,17)/p+1/t12-/m1/s1