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

Systemtic Name: [1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (1,3-diketobenzo[de]isoquinolin-2-yl) ester Formula: C19H12N2O7S MolecularWeight: 412.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C19H12N2O7S/c1-11-8-9-13(21(24)25)10-16(11)29(26,27)28-20-18(22)14-6-2-4-12-5-3-7-15(17(12)14)19(20)23/h2-10H,1H3