2-[3-(methylamino)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(methylamino)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-(methylamino)propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-(methylamino)propyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-(methylamino)propyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(methylamino)propyl]-4-nitro-isoindoline-1,3-quinone Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CNCC(CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H13N3O5/c1-13-5-7(16)6-14-11(17)8-3-2-4-9(15(19)20)10(8)12(14)18/h2-4,7,13,16H,5-6H2,1H3