(5E)-1-butyl-3-isocyano-4-methyl-5-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]pyridine-2,6-dione

Systemtic Name: (5E)-1-butyl-3-isocyano-4-methyl-5-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]pyridine-2,6-dione Openeye Name: (3E)-1-butyl-3-[(2-hydroxy-5-nitro-phenyl)hydrazono]-5-isocyano-4-methyl-pyridine-2,6-dione CAS Name: (3E)-1-butyl-3-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-5-isocyano-4-methylpyridine-2,6-dione IUPAC Name: (3E)-1-butyl-3-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-5-isocyano-4-methylpyridine-2,6-dione Traditional Name: (3E)-1-butyl-3-[(2-hydroxy-5-nitro-phenyl)hydrazono]-5-isocyano-4-methyl-pyridine-2,6-quinone Formula: C17H17N5O5 MolecularWeight: 371.34738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(C(=NNC2=C(C=CC(=C2)[N+](=O)[O-])O)C1=O)C)[N+]#[C-]

Isomeric SMILES

CCCCN1C(=O)C(=C(/C(=N\NC2=C(C=CC(=C2)[N+](=O)[O-])O)/C1=O)C)[N+]#[C-]

InChI

InChI=1S/C17H17N5O5/c1-4-5-8-21-16(24)14(18-3)10(2)15(17(21)25)20-19-12-9-11(22(26)27)6-7-13(12)23/h6-7,9,19,23H,4-5,8H2,1-2H3/b20-15+