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

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2,5-dimethylphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(2,5-dimethylbenzyl)-4-nitro-isoindoline-1,3-quinone Formula: C17H14N2O4 MolecularWeight: 310.30406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4/c1-10-6-7-11(2)12(8-10)9-18-16(20)13-4-3-5-14(19(22)23)15(13)17(18)21/h3-8H,9H2,1-2H3