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

Systemtic Name: 3,3-dimethyl-5-[(4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]-2-benzofuran-1-one Openeye Name: 3,3-dimethyl-5-[(4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]isobenzofuran-1-one CAS Name: 3,3-dimethyl-5-[(4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]-1-isobenzofuranone IUPAC Name: 3,3-dimethyl-5-[(4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]-2-benzofuran-1-one Traditional Name: 3,3-dimethyl-5-[(4-nitrophenyl)-(1,2,4-triazol-1-yl)methyl]phthalide Formula: C19H16N4O4 MolecularWeight: 364.35474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4/c1-19(2)16-9-13(5-8-15(16)18(24)27-19)17(22-11-20-10-21-22)12-3-6-14(7-4-12)23(25)26/h3-11,17H,1-2H3