2-[[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-methyl-amino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]-methyl-amino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-methyl-amino]-6-fluoro-benzonitrile CAS Name: 2-[[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]-methylamino]-6-fluorobenzonitrile IUPAC Name: 2-[[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]-methylamino]-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-[[[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]amino]-methyl-amino]benzonitrile Formula: C18H16FN3O4 MolecularWeight: 357.335743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=CC=C1)F)C#N)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CN(C1=C(C(=CC=C1)F)C#N)N[C@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C18H16FN3O4/c1-22(13-6-4-5-12(19)11(13)9-20)21-17-10-7-8-14(24-2)16(25-3)15(10)18(23)26-17/h4-8,17,21H,1-3H3/t17-/m1/s1