3-[5-[[3-iodanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[3-iodanyl-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-iodo-4-(4-nitrobenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H16IN3O7S MolecularWeight: 629.37991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])I)C(=O)NC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])I)C(=O)NC2=S)C(=O)O

InChI

InChI=1S/C25H16IN3O7S/c26-20-11-15(6-9-21(20)36-13-14-4-7-17(8-5-14)29(34)35)10-19-22(30)27-25(37)28(23(19)31)18-3-1-2-16(12-18)24(32)33/h1-12H,13H2,(H,32,33)(H,27,30,37)