5-[[2,5-dimethyl-1-(4-methyl-3-nitro-phenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[[2,5-dimethyl-1-(4-methyl-3-nitro-phenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[[2,5-dimethyl-1-(4-methyl-3-nitro-phenyl)pyrrol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-3-pyrrolyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[[2,5-dimethyl-1-(4-methyl-3-nitro-phenyl)pyrrol-3-yl]methylene]barbituric acid Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=O)NC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-9-4-5-13(8-15(9)22(26)27)21-10(2)6-12(11(21)3)7-14-16(23)19-18(25)20-17(14)24/h4-8H,1-3H3,(H2,19,20,23,24,25)