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

Systemtic Name: 5-[2-(4-hydroxyphenyl)ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 5-[2-(4-hydroxyphenyl)ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 5-[2-(4-hydroxyphenyl)ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 5-[2-(4-hydroxyphenyl)ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 5-[2-(4-hydroxyphenyl)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C3=C(C=C2)C(=O)NC3=O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C3=C(C=C2)C(=O)NC3=O)[N+](=O)[O-])O

InChI

InChI=1S/C16H12N2O5/c19-11-6-2-9(3-7-11)1-4-10-5-8-12-13(14(10)18(22)23)16(21)17-15(12)20/h2-3,5-8,19H,1,4H2,(H,17,20,21)