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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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