2-(2,5-dimethylphenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-9-6-7-10(2)13(8-9)17-15(19)11-4-3-5-12(18(21)22)14(11)16(17)20/h3-8H,1-2H3