3,3-dimethyl-5-(4-nitrophenyl)-4-(1,2,4-triazol-1-ylmethyl)-2-benzofuran-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4/c1-19(2)17-15(18(24)27-19)8-7-14(16(17)9-22-11-20-10-21-22)12-3-5-13(6-4-12)23(25)26/h3-8,10-11H,9H2,1-2H3