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

Systemtic Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-benzyloxy-5-methoxy-2-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-benzoxy-5-methoxy-2-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C19H15N3O6S/c1-27-15-8-12(7-13-17(23)20-19(29)21-18(13)24)14(22(25)26)9-16(15)28-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,20,21,23,24,29)