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

Systemtic Name: tert-butyl 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate CAS Name: 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)acetic acid tert-butyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-18(2,3)26-14(21)9-19-16(22)12-6-4-5-10-7-11(20(24)25)8-13(15(10)12)17(19)23/h4-8H,9H2,1-3H3