1-(3,4-dimethylphenyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-[(2-methyl-5-nitro-1H-indol-3-yl)methylene]barbituric acid Formula: C22H18N4O5 MolecularWeight: 418.40212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])C)C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])C)C(=O)NC2=O)C

InChI

InChI=1S/C22H18N4O5/c1-11-4-5-14(8-12(11)2)25-21(28)18(20(27)24-22(25)29)10-16-13(3)23-19-7-6-15(26(30)31)9-17(16)19/h4-10,23H,1-3H3,(H,24,27,29)