N-(4-methoxy-2-nitro-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(4-methoxy-2-nitrophenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(4-methoxy-2-nitro-phenyl)thioxanthene-3-carboxamide Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7S/c1-30-13-7-9-16(17(11-13)23(26)27)22-21(25)12-6-8-15-19(10-12)31(28,29)18-5-3-2-4-14(18)20(15)24/h2-11H,1H3,(H,22,25)