5-nitro-2-[(2R)-1-oxidanylbutan-2-yl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(2R)-1-oxidanylbutan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-(hydroxymethyl)propyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(2R)-1-hydroxybutan-2-yl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(2R)-1-hydroxybutan-2-yl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(1R)-1-methylolpropyl]-5-nitro-isoindoline-1,3-quinone Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5/c1-2-7(6-15)13-11(16)9-4-3-8(14(18)19)5-10(9)12(13)17/h3-5,7,15H,2,6H2,1H3/t7-/m1/s1