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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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