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

Systemtic Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-hydroxyphenyl)ethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[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=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C16H12N2O5/c19-11-6-4-10(5-7-11)8-9-17-15(20)12-2-1-3-13(18(22)23)14(12)16(17)21/h1-7,19H,8-9H2