4-nitro-2-[(2S)-1-oxidanylpropan-2-yl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(2S)-1-oxidanylpropan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-2-hydroxy-1-methyl-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-1-hydroxypropan-2-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-1-hydroxypropan-2-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(1S)-2-hydroxy-1-methyl-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CO)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O5/c1-6(5-14)12-10(15)7-3-2-4-8(13(17)18)9(7)11(12)16/h2-4,6,14H,5H2,1H3/t6-/m0/s1