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

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H13N3O6S MolecularWeight: 399.37732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O6S/c1-27-14-9-10(8-13(15(14)22)21(25)26)7-12-16(23)19-18(28)20(17(12)24)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,19,23,28)