1-[2-[9-methoxy-5,5-bis(oxidanylidene)benzo[c][1,2]benzothiazin-6-yl]sulfonyl-4-nitro-phenyl]ethanone

Systemtic Name: 1-[2-[9-methoxy-5,5-bis(oxidanylidene)benzo[c][1,2]benzothiazin-6-yl]sulfonyl-4-nitro-phenyl]ethanone Openeye Name: 1-[2-(9-methoxy-5,5-dioxo-benzo[c][1,2]benzothiazin-6-yl)sulfonyl-4-nitro-phenyl]ethanone CAS Name: 1-[2-[(9-methoxy-5,5-dioxo-6-benzo[c][1,2]benzothiazinyl)sulfonyl]-4-nitrophenyl]ethanone IUPAC Name: 1-[2-(9-methoxy-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)sulfonyl-4-nitrophenyl]ethanone Traditional Name: 1-[2-(5,5-diketo-9-methoxy-benzo[c][1,2]benzothiazin-6-yl)sulfonyl-4-nitro-phenyl]ethanone Formula: C21H16N2O8S2 MolecularWeight: 488.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=C(C=C(C=C3)OC)C4=CC=CC=C4S2(=O)=O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=C(C=C(C=C3)OC)C4=CC=CC=C4S2(=O)=O

InChI

InChI=1S/C21H16N2O8S2/c1-13(24)16-9-7-14(22(25)26)11-21(16)33(29,30)23-19-10-8-15(31-2)12-18(19)17-5-3-4-6-20(17)32(23,27)28/h3-12H,1-2H3