(5E)-5-[[(3-nitrophenyl)amino]methylidene]-1-phenethyl-3-propan-2-yl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-5-[[(3-nitrophenyl)amino]methylidene]-1-phenethyl-3-propan-2-yl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-isopropyl-5-[(3-nitroanilino)methylene]-3-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[(3-nitroanilino)methylidene]-1-phenethyl-3-propan-2-yl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[(3-nitroanilino)methylidene]-1-phenethyl-3-propan-2-yl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-isopropyl-5-[(3-nitroanilino)methylene]-3-phenethyl-barbituric acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=CNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)/C(=C/NC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5/c1-15(2)25-21(28)19(14-23-17-9-6-10-18(13-17)26(30)31)20(27)24(22(25)29)12-11-16-7-4-3-5-8-16/h3-10,13-15,23H,11-12H2,1-2H3/b19-14+