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

Systemtic Name: 2-[2-(4-methylphenoxy)ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-methylphenoxy)ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-methylphenoxy)ethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-methylphenoxy)ethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(4-methylphenoxy)ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H14N2O5 MolecularWeight: 326.30346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5/c1-11-2-5-13(6-3-11)24-9-8-18-16(20)14-7-4-12(19(22)23)10-15(14)17(18)21/h2-7,10H,8-9H2,1H3