2-(1-nitro-4-oxidanylidene-pentyl)isoindole-1,3-dione

Systemtic Name: 2-(1-nitro-4-oxidanylidene-pentyl)isoindole-1,3-dione Openeye Name: 2-(1-nitro-4-oxo-pentyl)isoindoline-1,3-dione CAS Name: 2-(1-nitro-4-oxopentyl)isoindole-1,3-dione IUPAC Name: 2-(1-nitro-4-oxopentyl)isoindole-1,3-dione Traditional Name: 2-(4-keto-1-nitro-pentyl)isoindoline-1,3-quinone Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(N1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5/c1-8(16)6-7-11(15(19)20)14-12(17)9-4-2-3-5-10(9)13(14)18/h2-5,11H,6-7H2,1H3