2-(4-nitrobutyl)isoindole-1,3-dione

Systemtic Name: 2-(4-nitrobutyl)isoindole-1,3-dione Openeye Name: 2-(4-nitrobutyl)isoindoline-1,3-dione CAS Name: 2-(4-nitrobutyl)isoindole-1,3-dione IUPAC Name: 2-(4-nitrobutyl)isoindole-1,3-dione Traditional Name: 2-(4-nitrobutyl)isoindoline-1,3-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c15-11-9-5-1-2-6-10(9)12(16)13(11)7-3-4-8-14(17)18/h1-2,5-6H,3-4,7-8H2