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

Systemtic Name: 4-nitro-2-(3-oxidanylpropyl)isoindole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-4-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/c14-6-2-5-12-10(15)7-3-1-4-8(13(17)18)9(7)11(12)16/h1,3-4,14H,2,5-6H2