(5Z)-1-butyl-5-[(5-nitrofuran-2-yl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5Z)-1-butyl-5-[(5-nitrofuran-2-yl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-butyl-5-[(5-nitro-2-furyl)methylene]-3-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-butyl-5-[(5-nitro-2-furanyl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-butyl-5-[(5-nitrofuran-2-yl)methylidene]-3-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-butyl-5-[(5-nitro-2-furyl)methylene]-3-phenethyl-barbituric acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C(=O)N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6/c1-2-3-12-22-19(25)17(14-16-9-10-18(30-16)24(28)29)20(26)23(21(22)27)13-11-15-7-5-4-6-8-15/h4-10,14H,2-3,11-13H2,1H3/b17-14-