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

Systemtic Name: 5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]benzylidene]barbituric acid Formula: C17H12N4O7 MolecularWeight: 384.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O7/c1-27-13-7-9(6-11-15(22)19-17(24)20-16(11)23)2-4-12(13)28-14-5-3-10(8-18-14)21(25)26/h2-8H,1H3,(H2,19,20,22,23,24)