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

Systemtic Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)-4-pyrazolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylene]barbituric acid Formula: C16H13N5O5 MolecularWeight: 355.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=O)NC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C)C=C3C(=O)NC(=O)NC3=O

InChI

InChI=1S/C16H13N5O5/c1-8-12(7-13-14(22)17-16(24)18-15(13)23)9(2)20(19-8)10-4-3-5-11(6-10)21(25)26/h3-7H,1-2H3,(H2,17,18,22,23,24)