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

Systemtic Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]methylene]barbituric acid Formula: C21H15N5O6 MolecularWeight: 433.3737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O6/c1-32-17-8-7-12(10-16(17)26(30)31)18-13(9-15-19(27)22-21(29)23-20(15)28)11-25(24-18)14-5-3-2-4-6-14/h2-11H,1H3,(H2,22,23,27,28,29)