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

Systemtic Name: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylene]barbituric acid Formula: C22H17N5O5 MolecularWeight: 431.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C22H17N5O5/c1-24-20(28)18(21(29)25(2)22(24)30)12-15-13-26(16-6-4-3-5-7-16)23-19(15)14-8-10-17(11-9-14)27(31)32/h3-13H,1-2H3