4-nitro-N-[4-[(7-oxidanyl-2-oxidanylidene-chromen-3-yl)methylsulfanyl]phenyl]benzamide

Systemtic Name: 4-nitro-N-[4-[(7-oxidanyl-2-oxidanylidene-chromen-3-yl)methylsulfanyl]phenyl]benzamide Openeye Name: N-[4-[(7-hydroxy-2-oxo-chromen-3-yl)methylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[(7-hydroxy-2-oxo-1-benzopyran-3-yl)methylthio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[(7-hydroxy-2-oxochromen-3-yl)methylsulfanyl]phenyl]-4-nitrobenzamide Traditional Name: N-[4-[(7-hydroxy-2-keto-chromen-3-yl)methylthio]phenyl]-4-nitro-benzamide Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC3=CC4=C(C=C(C=C4)O)OC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC3=CC4=C(C=C(C=C4)O)OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O6S/c26-19-8-3-15-11-16(23(28)31-21(15)12-19)13-32-20-9-4-17(5-10-20)24-22(27)14-1-6-18(7-2-14)25(29)30/h1-12,26H,13H2,(H,24,27)