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

Systemtic Name: 2-[(2S)-butan-2-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(1S)-1-methylpropyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2S)-butan-2-yl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2S)-butan-2-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(1S)-1-methylpropyl]-4-nitro-isoindoline-1,3-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-3-7(2)13-11(15)8-5-4-6-9(14(17)18)10(8)12(13)16/h4-7H,3H2,1-2H3/t7-/m0/s1