2-(1-azanylbutyl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(1-azanylbutyl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(1-aminobutyl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(1-aminobutyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(1-aminobutyl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(1-aminobutyl)-5-nitro-isoindoline-1,3-quinone Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-2-3-10(13)14-11(16)8-5-4-7(15(18)19)6-9(8)12(14)17/h4-6,10H,2-3,13H2,1H3