5-[(2-fluoranyl-4-nitro-phenyl)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-2-benzofuran-1-one

Systemtic Name: 5-[(2-fluoranyl-4-nitro-phenyl)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-2-benzofuran-1-one Openeye Name: 5-[(2-fluoro-4-nitro-phenyl)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-isobenzofuran-1-one CAS Name: 5-[(2-fluoro-4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-1-isobenzofuranone IUPAC Name: 5-[(2-fluoro-4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-2-benzofuran-1-one Traditional Name: 5-[(2-fluoro-4-nitro-phenyl)-(1,2,4-triazol-1-yl)methyl]-3,3-dimethyl-phthalide Formula: C19H15FN4O4 MolecularWeight: 382.345203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(C3=C(C=C(C=C3)[N+](=O)[O-])F)N4C=NC=N4)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(C3=C(C=C(C=C3)[N+](=O)[O-])F)N4C=NC=N4)C(=O)O1)C

InChI

InChI=1S/C19H15FN4O4/c1-19(2)15-7-11(3-5-13(15)18(25)28-19)17(23-10-21-9-22-23)14-6-4-12(24(26)27)8-16(14)20/h3-10,17H,1-2H3