5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C19H15N3O6S/c1-10-5-3-4-6-13(10)21-18(25)12(17(24)20-19(21)29)7-11-8-14(22(26)27)16(23)15(9-11)28-2/h3-9,23H,1-2H3,(H,20,24,29)