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

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3-bromophenoxy)ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3-bromophenoxy)ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3-bromophenoxy)ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3-bromophenoxy)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O5/c17-10-3-1-4-11(9-10)24-8-7-18-15(20)12-5-2-6-13(19(22)23)14(12)16(18)21/h1-6,9H,7-8H2