4-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)-N,N-diethyl-benzenesulfonamide Formula: C22H18N4O8S MolecularWeight: 498.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O8S/c1-3-23(4-2)35(33,34)17-7-5-14(6-8-17)24-21(27)18-11-15(25(29)30)9-13-10-16(26(31)32)12-19(20(13)18)22(24)28/h5-12H,3-4H2,1-2H3