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

Systemtic Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-benzyloxy-5-methoxy-2-nitro-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-benzoxy-5-methoxy-2-nitro-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OCC3=CC=CC=C3)OC)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OCC3=CC=CC=C3)OC)C(=O)N(C1=S)C

InChI

InChI=1S/C21H19N3O6S/c1-22-19(25)15(20(26)23(2)21(22)31)9-14-10-17(29-3)18(11-16(14)24(27)28)30-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3