5-(2-fluoranyl-4-nitro-phenyl)-3,3-dimethyl-4-(1,2,4-triazol-1-ylmethyl)-2-benzofuran-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2CN3C=NC=N3)C4=C(C=C(C=C4)[N+](=O)[O-])F)C(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2CN3C=NC=N3)C4=C(C=C(C=C4)[N+](=O)[O-])F)C(=O)O1)C

InChI

InChI=1S/C19H15FN4O4/c1-19(2)17-14(18(25)28-19)6-5-12(15(17)8-23-10-21-9-22-23)13-4-3-11(24(26)27)7-16(13)20/h3-7,9-10H,8H2,1-2H3