2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-propan-2-ylbenzenesulfonate

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-propan-2-ylbenzenesulfonate Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C23H20N2O7S MolecularWeight: 468.4791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O7S/c1-14(2)15-6-8-18(9-7-15)33(30,31)32-11-10-24-22(26)19-5-3-4-16-12-17(25(28)29)13-20(21(16)19)23(24)27/h3-9,12-14H,10-11H2,1-2H3