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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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