5-nitro-2-(3-oxidanylpropyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(3-oxidanylpropyl)isoindole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(3-hydroxypropyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-5-nitro-isoindoline-1,3-quinone Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCCO

InChI

InChI=1S/C11H10N2O5/c14-5-1-4-12-10(15)8-3-2-7(13(17)18)6-9(8)11(12)16/h2-3,6,14H,1,4-5H2