[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] butanoate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] butanoate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) butanoate CAS Name: butanoic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) butanoate Traditional Name: butyric acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C16H12N2O6 MolecularWeight: 328.27628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)ON1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O6/c1-2-4-13(19)24-17-15(20)11-6-3-5-9-7-10(18(22)23)8-12(14(9)11)16(17)21/h3,5-8H,2,4H2,1H3