5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H12N4O6S MolecularWeight: 400.36538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c1-26-13-7-9(6-11-15(22)19-17(28)20-16(11)23)2-4-12(13)27-14-5-3-10(8-18-14)21(24)25/h2-8H,1H3,(H2,19,20,22,23,28)