2-[2-(2,5-dimethylphenoxy)ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(2,5-dimethylphenoxy)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C18H16N2O5 MolecularWeight: 340.33004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-11-6-7-12(2)15(10-11)25-9-8-19-17(21)13-4-3-5-14(20(23)24)16(13)18(19)22/h3-7,10H,8-9H2,1-2H3