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

Systemtic Name: 5-[(5-ethoxy-2-nitro-4-phenylmethoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-benzyloxy-5-ethoxy-2-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(5-ethoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-ethoxy-2-nitro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-benzoxy-5-ethoxy-2-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O6S/c1-2-28-16-9-13(8-14-18(24)21-20(30)22-19(14)25)15(23(26)27)10-17(16)29-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H2,21,22,24,25,30)