N-(2-methyl-5-nitro-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(2-methyl-5-nitro-phenyl)thioxanthene-3-carboxamide Formula: C21H14N2O6S MolecularWeight: 422.41066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H14N2O6S/c1-12-6-8-14(23(26)27)11-17(12)22-21(25)13-7-9-16-19(10-13)30(28,29)18-5-3-2-4-15(18)20(16)24/h2-11H,1H3,(H,22,25)