(5Z)-1-butyl-3-isocyano-4-methyl-5-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]pyridine-2,6-dione; cobalt; (5Z)-1-ethynyl-4-methyl-5-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-2,6-bis(oxidanylidene)pyridine-3-carbonitrile

Systemtic Name: (5Z)-1-butyl-3-isocyano-4-methyl-5-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]pyridine-2,6-dione; cobalt; (5Z)-1-ethynyl-4-methyl-5-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-2,6-bis(oxidanylidene)pyridine-3-carbonitrile Openeye Name: (3Z)-1-butyl-3-[(2-hydroxy-5-nitro-phenyl)hydrazono]-5-isocyano-4-methyl-pyridine-2,6-dione; cobalt; (5Z)-1-ethynyl-5-[(2-hydroxy-5-nitro-phenyl)hydrazono]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile CAS Name: (3Z)-1-butyl-3-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-5-isocyano-4-methylpyridine-2,6-dione; cobalt; (5Z)-1-ethynyl-5-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-4-methyl-2,6-dioxo-3-pyridinecarbonitrile IUPAC Name: (3Z)-1-butyl-3-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-5-isocyano-4-methylpyridine-2,6-dione; cobalt; (5Z)-1-ethynyl-5-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile Traditional Name: (3Z)-1-butyl-3-[(2-hydroxy-5-nitro-phenyl)hydrazono]-5-isocyano-4-methyl-pyridine-2,6-quinone; cobalt; (5Z)-1-ethynyl-5-[(2-hydroxy-5-nitro-phenyl)hydrazono]-2,6-diketo-4-methyl-nicotinonitrile Formula: C32H26CoN10O10 MolecularWeight: 769.54304

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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-].CC1=C(C(=O)N(C(=O)C1=NNC2=C(C=CC(=C2)[N+](=O)[O-])O)C#C)C#N.[Co]

Isomeric SMILES

CCCCN1C(=O)C(=C(/C(=N/NC2=C(C=CC(=C2)[N+](=O)[O-])O)/C1=O)C)[N+]#[C-].CC\1=C(C(=O)N(C(=O)/C1=N\NC2=C(C=CC(=C2)[N+](=O)[O-])O)C#C)C#N.[Co]

InChI

InChI=1S/C17H17N5O5.C15H9N5O5.Co/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;1-3-19-14(22)10(7-16)8(2)13(15(19)23)18-17-11-6-9(20(24)25)4-5-12(11)21;/h6-7,9,19,23H,4-5,8H2,1-2H3;1,4-6,17,21H,2H3;/b20-15-;18-13-;